Hi all,
I am trying to compile amber10 pmemd with intel-library. The versions
of my mpif90 is (mpif90 -show)
ifort -I/sw/openmpi-1.6_intel/include -I/sw/openmpi-1.6_intel/lib
-L/sw/openmpi-1.6_intel/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -lnuma
-Wl,--export-dynamic -lrt -lnsl -lutil
I have configured the with the following options
./configure linux64_opteron ifort intelmpi nobintraj
which gives a config.h file
[pgreisen.n0001 pmemd]$ make clean
cd src && rm -f *.f90 *.o *.mod pmemd *.d work.pc*
[pgreisen.n0001 pmemd]$ ls
config_data config.h configure makef90depends Makefile persnotes
README src
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -xW -ip -O3 gbl_constants.f90
f95: language W not recognized
f95: language W not recognized
f95: gbl_constants.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_datatypes.fpp gbl_datatypes.f90
mpif90 -c -auto -xW -ip -O3 gbl_datatypes.f90
f95: language W not recognized
f95: language W not recognized
f95: gbl_datatypes.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC state_info.fpp
state_info.f90
mpif90 -c -auto -xW -ip -O3 state_info.f90
f95: language W not recognized
f95: language W not recognized
f95: state_info.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io_dat.fpp
file_io_dat.f90
mpif90 -c -auto -xW -ip -O3 file_io_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: file_io_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp
pmemd_lib.f90
mpif90 -c -auto -xW -ip -O3 pmemd_lib.f90
f95: language W not recognized
f95: language W not recognized
f95: pmemd_lib.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
parallel_dat.fpp parallel_dat.f90
mpif90 -c -auto -xW -ip -O3 parallel_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: parallel_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io.fpp
file_io.f90
mpif90 -c -auto -xW -ip -O3 file_io.f90
f95: language W not recognized
f95: language W not recognized
f95: file_io.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ctrl_dat.fpp mdin_ctrl_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ctrl_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: mdin_ctrl_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
axis_optimize.fpp axis_optimize.f90
mpif90 -c -auto -xW -ip -O3 axis_optimize.f90
f95: language W not recognized
f95: language W not recognized
f95: axis_optimize.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC fft1d.fpp
fft1d.f90
mpif90 -c -auto -xW -ip -O3 fft1d.f90
f95: language W not recognized
f95: language W not recognized
f95: fft1d.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nextprmtop_section.fpp nextprmtop_section.f90
mpif90 -c -auto -xW -ip -O3 nextprmtop_section.f90
f95: language W not recognized
f95: language W not recognized
f95: nextprmtop_section.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prmtop_dat.fpp
prmtop_dat.f90
mpif90 -c -auto -xW -ip -O3 prmtop_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: prmtop_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ewald_dat.fpp mdin_ewald_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ewald_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: mdin_ewald_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC inpcrd_dat.fpp
inpcrd_dat.f90
mpif90 -c -auto -xW -ip -O3 inpcrd_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: inpcrd_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC mol_list.fpp
mol_list.f90
mpif90 -c -auto -xW -ip -O3 mol_list.f90
f95: language W not recognized
f95: language W not recognized
f95: mol_list.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
extra_pnts_nb14.fpp extra_pnts_nb14.f90
mpif90 -c -auto -xW -ip -O3 extra_pnts_nb14.f90
f95: language W not recognized
f95: language W not recognized
f95: extra_pnts_nb14.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prfs.fpp
prfs.f90
mpif90 -c -auto -xW -ip -O3 prfs.f90
f95: language W not recognized
f95: language W not recognized
f95: prfs.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
dynamics_dat.fpp dynamics_dat.f90
mpif90 -c -auto -xW -ip -O3 dynamics_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: dynamics_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC random.fpp
random.f90
mpif90 -c -auto -xW -ip -O3 random.f90
f95: language W not recognized
f95: language W not recognized
f95: random.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dynamics.fpp
dynamics.f90
mpif90 -c -auto -xW -ip -O3 dynamics.f90
f95: language W not recognized
f95: language W not recognized
f95: dynamics.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pbc.fpp pbc.f90
mpif90 -c -auto -xW -ip -O3 pbc.f90
f95: language W not recognized
f95: language W not recognized
f95: pbc.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC img.fpp img.f90
mpif90 -c -auto -xW -ip -O3 img.f90
f95: language W not recognized
f95: language W not recognized
f95: img.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC timers.fpp
timers.f90
mpif90 -c -auto -xW -ip -O3 timers.f90
f95: language W not recognized
f95: language W not recognized
f95: timers.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bspline.fpp
bspline.f90
mpif90 -c -auto -xW -ip -O3 bspline.f90
f95: language W not recognized
f95: language W not recognized
f95: bspline.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_recip_dat.fpp pme_recip_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_recip_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_recip_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_fft_dat.fpp
pme_fft_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_fft_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_fft_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_blk_fft.fpp
pme_blk_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_fft.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_blk_fft.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_fft.fpp pme_slab_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_fft.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_slab_fft.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC constraints.fpp
constraints.f90
mpif90 -c -auto -xW -ip -O3 constraints.f90
f95: language W not recognized
f95: language W not recognized
f95: constraints.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC shake.fpp
shake.f90
mpif90 -c -auto -xW -ip -O3 shake.f90
f95: language W not recognized
f95: language W not recognized
f95: shake.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_lib.fpp
nmr_lib.f90
mpif90 -c -auto -xW -ip -O3 nmr_lib.f90
f95: language W not recognized
f95: language W not recognized
f95: nmr_lib.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_calls.fpp
nmr_calls.f90
mpif90 -c -auto -xW -ip -O3 nmr_calls.f90
f95: language W not recognized
f95: language W not recognized
f95: nmr_calls.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC angles.fpp
angles.f90
mpif90 -c -auto -xW -ip -O3 angles.f90
f95: language W not recognized
f95: language W not recognized
f95: angles.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bonds.fpp
bonds.f90
mpif90 -c -auto -xW -ip -O3 bonds.f90
f95: language W not recognized
f95: language W not recognized
f95: bonds.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC cit.fpp cit.f90
mpif90 -c -auto -xW -ip -O3 cit.f90
f95: language W not recognized
f95: language W not recognized
f95: cit.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dihedrals.fpp
dihedrals.f90
mpif90 -c -auto -xW -ip -O3 dihedrals.f90
f95: language W not recognized
f95: language W not recognized
f95: dihedrals.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nb_exclusions.fpp nb_exclusions.f90
mpif90 -c -auto -xW -ip -O3 nb_exclusions.f90
f95: language W not recognized
f95: language W not recognized
f95: nb_exclusions.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC parallel.fpp
parallel.f90
mpif90 -c -auto -xW -ip -O3 parallel.f90
f95: language W not recognized
f95: language W not recognized
f95: parallel.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_parallel.fpp
gb_parallel.f90
mpif90 -c -auto -xW -ip -O3 gb_parallel.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_parallel.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nb_pairlist.fpp
nb_pairlist.f90
mpif90 -c -auto -xW -ip -O3 nb_pairlist.f90
f95: language W not recognized
f95: language W not recognized
f95: nb_pairlist.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC loadbal.fpp
loadbal.f90
mpif90 -c -auto -xW -ip -O3 loadbal.f90
f95: language W not recognized
f95: language W not recognized
f95: loadbal.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_blk_recip.fpp pme_blk_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_recip.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_blk_recip.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_recip.fpp pme_slab_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_recip.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_slab_recip.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
ene_frc_splines.fpp ene_frc_splines.f90
mpif90 -c -auto -xW -ip -O3 ene_frc_splines.f90
f95: language W not recognized
f95: language W not recognized
f95: ene_frc_splines.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_direct.fpp
pme_direct.f90
mpif90 -c -auto -xW -ip -O3 pme_direct.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_direct.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bintraj.fpp
bintraj.f90
mpif90 -c -auto -xW -ip -O3 bintraj.f90
f95: language W not recognized
f95: language W not recognized
f95: bintraj.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runfiles.fpp
runfiles.f90
mpif90 -c -auto -xW -ip -O3 runfiles.f90
f95: language W not recognized
f95: language W not recognized
f95: runfiles.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_force.fpp
pme_force.f90
mpif90 -c -auto -xW -ip -O3 pme_force.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_force.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC degcnt.fpp
degcnt.f90
mpif90 -c -auto -xW -ip -O3 degcnt.f90
f95: language W not recognized
f95: language W not recognized
f95: degcnt.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_ene.fpp
gb_ene.f90
mpif90 -c -auto -xW -ip -O3 gb_ene.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_ene.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_force.fpp
gb_force.f90
mpif90 -c -auto -xW -ip -O3 gb_force.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_force.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmd.fpp
runmd.f90
mpif90 -c -auto -xW -ip -O3 runmd.f90
f95: language W not recognized
f95: language W not recognized
f95: runmd.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmin.fpp
runmin.f90
mpif90 -c -auto -xW -ip -O3 runmin.f90
f95: language W not recognized
f95: language W not recognized
f95: runmin.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC veclib.fpp
veclib.f90
mpif90 -c -auto -xW -ip -O3 veclib.f90
f95: language W not recognized
f95: language W not recognized
f95: veclib.f90: linker input file unused because linking not done
mpicc -c pmemd_clib.c
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gb_alltasks_setup.fpp gb_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 gb_alltasks_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_alltasks_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_alltasks_setup.fpp pme_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_alltasks_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_alltasks_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_setup.fpp
pme_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC get_cmdline.fpp
get_cmdline.f90
mpif90 -c -auto -xW -ip -O3 get_cmdline.f90
f95: language W not recognized
f95: language W not recognized
f95: get_cmdline.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
master_setup.fpp master_setup.f90
mpif90 -c -auto -xW -ip -O3 master_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: master_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd.fpp
pmemd.f90
mpif90 -c -auto -xW -ip -O3 pmemd.f90
f95: language W not recognized
f95: language W not recognized
f95: pmemd.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC erfcfun.fpp
erfcfun.f90
mpif90 -c -auto -xW -ip -O3 erfcfun.f90
f95: language W not recognized
f95: language W not recognized
f95: erfcfun.f90: linker input file unused because linking not done
mpif90 -o pmemd gbl_constants.o gbl_datatypes.o state_info.o
file_io_dat.o mdin_ctrl_dat.o mdin_ewald_dat.o prmtop_dat.o
inpcrd_dat.o dynamics_dat.o img.o parallel_dat.o parallel.o
gb_parallel.o pme_direct.o pme_recip_dat.o pme_slab_recip.o
pme_blk_recip.o pme_slab_fft.o pme_blk_fft.o pme_fft_dat.o fft1d.o
bspline.o pme_force.o pbc.o nb_pairlist.o nb_exclusions.o cit.o
dynamics.o bonds.o angles.o dihedrals.o extra_pnts_nb14.o runmd.o
loadbal.o shake.o prfs.o mol_list.o runmin.o constraints.o
axis_optimize.o gb_ene.o veclib.o gb_force.o timers.o pmemd_lib.o
runfiles.o file_io.o bintraj.o pmemd_clib.o pmemd.o random.o degcnt.o
erfcfun.o nmr_calls.o nmr_lib.o get_cmdline.o master_setup.o
pme_alltasks_setup.o pme_setup.o ene_frc_splines.o gb_alltasks_setup.o
nextprmtop_section.o -L/sw/intel/impi/4.0.3.008//lib64 -lmpi
-lmpiif -limf -lsvml
-Wl,-rpath=/sw/openmpi_intel/lib:/sw/intel/Compiler/prod/compiler/lib/intel64:/sw/intel/Compiler/prod/ipp/../compiler/lib/intel64:/sw/intel/Compiler/prod/ipp/lib/intel64:/sw/intel/Compiler/prod/compiler/lib/intel64:/sw/intel/Compiler/prod/mkl/lib/intel64:/sw/intel/Compiler/prod/tbb/lib/intel64//cc4.1.0_libc2.4_kernel2.6.16.21:/sw/intel/Compiler/prod/debugger/lib/intel64:/sw/intel/Compiler/prod/mpirt/lib/intel64
f95: gbl_constants.o: No such file or directory
f95: gbl_datatypes.o: No such file or directory
f95: state_info.o: No such file or directory
f95: file_io_dat.o: No such file or directory
f95: mdin_ctrl_dat.o: No such file or directory
f95: mdin_ewald_dat.o: No such file or directory
f95: prmtop_dat.o: No such file or directory
f95: inpcrd_dat.o: No such file or directory
f95: dynamics_dat.o: No such file or directory
f95: img.o: No such file or directory
f95: parallel_dat.o: No such file or directory
f95: parallel.o: No such file or directory
f95: gb_parallel.o: No such file or directory
f95: pme_direct.o: No such file or directory
f95: pme_recip_dat.o: No such file or directory
f95: pme_slab_recip.o: No such file or directory
f95: pme_blk_recip.o: No such file or directory
f95: pme_slab_fft.o: No such file or directory
f95: pme_blk_fft.o: No such file or directory
f95: pme_fft_dat.o: No such file or directory
f95: fft1d.o: No such file or directory
f95: bspline.o: No such file or directory
f95: pme_force.o: No such file or directory
f95: pbc.o: No such file or directory
f95: nb_pairlist.o: No such file or directory
f95: nb_exclusions.o: No such file or directory
f95: cit.o: No such file or directory
f95: dynamics.o: No such file or directory
f95: bonds.o: No such file or directory
f95: angles.o: No such file or directory
f95: dihedrals.o: No such file or directory
f95: extra_pnts_nb14.o: No such file or directory
f95: runmd.o: No such file or directory
f95: loadbal.o: No such file or directory
f95: shake.o: No such file or directory
f95: prfs.o: No such file or directory
f95: mol_list.o: No such file or directory
f95: runmin.o: No such file or directory
f95: constraints.o: No such file or directory
f95: axis_optimize.o: No such file or directory
f95: gb_ene.o: No such file or directory
f95: veclib.o: No such file or directory
f95: gb_force.o: No such file or directory
f95: timers.o: No such file or directory
f95: pmemd_lib.o: No such file or directory
f95: runfiles.o: No such file or directory
f95: file_io.o: No such file or directory
f95: bintraj.o: No such file or directory
f95: pmemd.o: No such file or directory
f95: random.o: No such file or directory
f95: degcnt.o: No such file or directory
f95: erfcfun.o: No such file or directory
f95: nmr_calls.o: No such file or directory
f95: nmr_lib.o: No such file or directory
f95: get_cmdline.o: No such file or directory
f95: master_setup.o: No such file or directory
f95: pme_alltasks_setup.o: No such file or directory
f95: pme_setup.o: No such file or directory
f95: ene_frc_splines.o: No such file or directory
f95: gb_alltasks_setup.o: No such file or directory
f95: nextprmtop_section.o: No such file or directory
make[1]: *** [pmemd] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ make clean
cd src && rm -f *.f90 *.o *.mod pmemd *.d work.pc*
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -ip -O3 gbl_constants.f90
f951: error: unrecognized command line option "-auto"
make[1]: *** [gbl_constants.o] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$ make clean
cd src && rm -f *.f90 *.o *.mod pmemd *.d work.pc*
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -ip -O3 gbl_constants.f90
f951: error: unrecognized command line option "-auto"
make[1]: *** [gbl_constants.o] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -xW -ip -O3 gbl_constants.f90
f95: language W not recognized
f95: language W not recognized
f95: gbl_constants.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_datatypes.fpp gbl_datatypes.f90
mpif90 -c -auto -xW -ip -O3 gbl_datatypes.f90
f95: language W not recognized
f95: language W not recognized
f95: gbl_datatypes.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC state_info.fpp
state_info.f90
mpif90 -c -auto -xW -ip -O3 state_info.f90
f95: language W not recognized
f95: language W not recognized
f95: state_info.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io_dat.fpp
file_io_dat.f90
mpif90 -c -auto -xW -ip -O3 file_io_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: file_io_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp
pmemd_lib.f90
mpif90 -c -auto -xW -ip -O3 pmemd_lib.f90
f95: language W not recognized
f95: language W not recognized
f95: pmemd_lib.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
parallel_dat.fpp parallel_dat.f90
mpif90 -c -auto -xW -ip -O3 parallel_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: parallel_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io.fpp
file_io.f90
mpif90 -c -auto -xW -ip -O3 file_io.f90
f95: language W not recognized
f95: language W not recognized
f95: file_io.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ctrl_dat.fpp mdin_ctrl_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ctrl_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: mdin_ctrl_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
axis_optimize.fpp axis_optimize.f90
mpif90 -c -auto -xW -ip -O3 axis_optimize.f90
f95: language W not recognized
f95: language W not recognized
f95: axis_optimize.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC fft1d.fpp
fft1d.f90
mpif90 -c -auto -xW -ip -O3 fft1d.f90
f95: language W not recognized
f95: language W not recognized
f95: fft1d.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nextprmtop_section.fpp nextprmtop_section.f90
mpif90 -c -auto -xW -ip -O3 nextprmtop_section.f90
f95: language W not recognized
f95: language W not recognized
f95: nextprmtop_section.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prmtop_dat.fpp
prmtop_dat.f90
mpif90 -c -auto -xW -ip -O3 prmtop_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: prmtop_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ewald_dat.fpp mdin_ewald_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ewald_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: mdin_ewald_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC inpcrd_dat.fpp
inpcrd_dat.f90
mpif90 -c -auto -xW -ip -O3 inpcrd_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: inpcrd_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC mol_list.fpp
mol_list.f90
mpif90 -c -auto -xW -ip -O3 mol_list.f90
f95: language W not recognized
f95: language W not recognized
f95: mol_list.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
extra_pnts_nb14.fpp extra_pnts_nb14.f90
mpif90 -c -auto -xW -ip -O3 extra_pnts_nb14.f90
f95: language W not recognized
f95: language W not recognized
f95: extra_pnts_nb14.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prfs.fpp
prfs.f90
mpif90 -c -auto -xW -ip -O3 prfs.f90
f95: language W not recognized
f95: language W not recognized
f95: prfs.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
dynamics_dat.fpp dynamics_dat.f90
mpif90 -c -auto -xW -ip -O3 dynamics_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: dynamics_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC random.fpp
random.f90
mpif90 -c -auto -xW -ip -O3 random.f90
f95: language W not recognized
f95: language W not recognized
f95: random.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dynamics.fpp
dynamics.f90
mpif90 -c -auto -xW -ip -O3 dynamics.f90
f95: language W not recognized
f95: language W not recognized
f95: dynamics.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pbc.fpp pbc.f90
mpif90 -c -auto -xW -ip -O3 pbc.f90
f95: language W not recognized
f95: language W not recognized
f95: pbc.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC img.fpp img.f90
mpif90 -c -auto -xW -ip -O3 img.f90
f95: language W not recognized
f95: language W not recognized
f95: img.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC timers.fpp
timers.f90
mpif90 -c -auto -xW -ip -O3 timers.f90
f95: language W not recognized
f95: language W not recognized
f95: timers.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bspline.fpp
bspline.f90
mpif90 -c -auto -xW -ip -O3 bspline.f90
f95: language W not recognized
f95: language W not recognized
f95: bspline.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_recip_dat.fpp pme_recip_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_recip_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_recip_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_fft_dat.fpp
pme_fft_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_fft_dat.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_fft_dat.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_blk_fft.fpp
pme_blk_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_fft.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_blk_fft.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_fft.fpp pme_slab_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_fft.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_slab_fft.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC constraints.fpp
constraints.f90
mpif90 -c -auto -xW -ip -O3 constraints.f90
f95: language W not recognized
f95: language W not recognized
f95: constraints.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC shake.fpp
shake.f90
mpif90 -c -auto -xW -ip -O3 shake.f90
f95: language W not recognized
f95: language W not recognized
f95: shake.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_lib.fpp
nmr_lib.f90
mpif90 -c -auto -xW -ip -O3 nmr_lib.f90
f95: language W not recognized
f95: language W not recognized
f95: nmr_lib.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_calls.fpp
nmr_calls.f90
mpif90 -c -auto -xW -ip -O3 nmr_calls.f90
f95: language W not recognized
f95: language W not recognized
f95: nmr_calls.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC angles.fpp
angles.f90
mpif90 -c -auto -xW -ip -O3 angles.f90
f95: language W not recognized
f95: language W not recognized
f95: angles.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bonds.fpp
bonds.f90
mpif90 -c -auto -xW -ip -O3 bonds.f90
f95: language W not recognized
f95: language W not recognized
f95: bonds.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC cit.fpp cit.f90
mpif90 -c -auto -xW -ip -O3 cit.f90
f95: language W not recognized
f95: language W not recognized
f95: cit.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dihedrals.fpp
dihedrals.f90
mpif90 -c -auto -xW -ip -O3 dihedrals.f90
f95: language W not recognized
f95: language W not recognized
f95: dihedrals.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nb_exclusions.fpp nb_exclusions.f90
mpif90 -c -auto -xW -ip -O3 nb_exclusions.f90
f95: language W not recognized
f95: language W not recognized
f95: nb_exclusions.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC parallel.fpp
parallel.f90
mpif90 -c -auto -xW -ip -O3 parallel.f90
f95: language W not recognized
f95: language W not recognized
f95: parallel.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_parallel.fpp
gb_parallel.f90
mpif90 -c -auto -xW -ip -O3 gb_parallel.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_parallel.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nb_pairlist.fpp
nb_pairlist.f90
mpif90 -c -auto -xW -ip -O3 nb_pairlist.f90
f95: language W not recognized
f95: language W not recognized
f95: nb_pairlist.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC loadbal.fpp
loadbal.f90
mpif90 -c -auto -xW -ip -O3 loadbal.f90
f95: language W not recognized
f95: language W not recognized
f95: loadbal.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_blk_recip.fpp pme_blk_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_recip.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_blk_recip.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_recip.fpp pme_slab_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_recip.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_slab_recip.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
ene_frc_splines.fpp ene_frc_splines.f90
mpif90 -c -auto -xW -ip -O3 ene_frc_splines.f90
f95: language W not recognized
f95: language W not recognized
f95: ene_frc_splines.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_direct.fpp
pme_direct.f90
mpif90 -c -auto -xW -ip -O3 pme_direct.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_direct.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bintraj.fpp
bintraj.f90
mpif90 -c -auto -xW -ip -O3 bintraj.f90
f95: language W not recognized
f95: language W not recognized
f95: bintraj.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runfiles.fpp
runfiles.f90
mpif90 -c -auto -xW -ip -O3 runfiles.f90
f95: language W not recognized
f95: language W not recognized
f95: runfiles.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_force.fpp
pme_force.f90
mpif90 -c -auto -xW -ip -O3 pme_force.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_force.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC degcnt.fpp
degcnt.f90
mpif90 -c -auto -xW -ip -O3 degcnt.f90
f95: language W not recognized
f95: language W not recognized
f95: degcnt.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_ene.fpp
gb_ene.f90
mpif90 -c -auto -xW -ip -O3 gb_ene.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_ene.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_force.fpp
gb_force.f90
mpif90 -c -auto -xW -ip -O3 gb_force.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_force.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmd.fpp
runmd.f90
mpif90 -c -auto -xW -ip -O3 runmd.f90
f95: language W not recognized
f95: language W not recognized
f95: runmd.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmin.fpp
runmin.f90
mpif90 -c -auto -xW -ip -O3 runmin.f90
f95: language W not recognized
f95: language W not recognized
f95: runmin.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC veclib.fpp
veclib.f90
mpif90 -c -auto -xW -ip -O3 veclib.f90
f95: language W not recognized
f95: language W not recognized
f95: veclib.f90: linker input file unused because linking not done
mpicc -c pmemd_clib.c
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gb_alltasks_setup.fpp gb_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 gb_alltasks_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: gb_alltasks_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_alltasks_setup.fpp pme_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_alltasks_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_alltasks_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_setup.fpp
pme_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: pme_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC get_cmdline.fpp
get_cmdline.f90
mpif90 -c -auto -xW -ip -O3 get_cmdline.f90
f95: language W not recognized
f95: language W not recognized
f95: get_cmdline.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
master_setup.fpp master_setup.f90
mpif90 -c -auto -xW -ip -O3 master_setup.f90
f95: language W not recognized
f95: language W not recognized
f95: master_setup.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd.fpp
pmemd.f90
mpif90 -c -auto -xW -ip -O3 pmemd.f90
f95: language W not recognized
f95: language W not recognized
f95: pmemd.f90: linker input file unused because linking not done
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC erfcfun.fpp
erfcfun.f90
mpif90 -c -auto -xW -ip -O3 erfcfun.f90
f95: language W not recognized
f95: language W not recognized
f95: erfcfun.f90: linker input file unused because linking not done
mpif90 -o pmemd gbl_constants.o gbl_datatypes.o state_info.o
file_io_dat.o mdin_ctrl_dat.o mdin_ewald_dat.o prmtop_dat.o
inpcrd_dat.o dynamics_dat.o img.o parallel_dat.o parallel.o
gb_parallel.o pme_direct.o pme_recip_dat.o pme_slab_recip.o
pme_blk_recip.o pme_slab_fft.o pme_blk_fft.o pme_fft_dat.o fft1d.o
bspline.o pme_force.o pbc.o nb_pairlist.o nb_exclusions.o cit.o
dynamics.o bonds.o angles.o dihedrals.o extra_pnts_nb14.o runmd.o
loadbal.o shake.o prfs.o mol_list.o runmin.o constraints.o
axis_optimize.o gb_ene.o veclib.o gb_force.o timers.o pmemd_lib.o
runfiles.o file_io.o bintraj.o pmemd_clib.o pmemd.o random.o degcnt.o
erfcfun.o nmr_calls.o nmr_lib.o get_cmdline.o master_setup.o
pme_alltasks_setup.o pme_setup.o ene_frc_splines.o gb_alltasks_setup.o
nextprmtop_section.o -L/sw/intel/impi/4.0.3.008//lib64 -lmpiif
-limf -lsvml -Wl,-rpath=/sw/openmpi_intel/lib:/sw/intel/Compiler/prod/compiler/lib/intel64:/sw/intel/Compiler/prod/ipp/../compiler/lib/intel64:/sw/intel/Compiler/prod/ipp/lib/intel64:/sw/intel/Compiler/prod/compiler/lib/intel64:/sw/intel/Compiler/prod/mkl/lib/intel64:/sw/intel/Compiler/prod/tbb/lib/intel64//cc4.1.0_libc2.4_kernel2.6.16.21:/sw/intel/Compiler/prod/debugger/lib/intel64:/sw/intel/Compiler/prod/mpirt/lib/intel64
f95: gbl_constants.o: No such file or directory
f95: gbl_datatypes.o: No such file or directory
f95: state_info.o: No such file or directory
f95: file_io_dat.o: No such file or directory
f95: mdin_ctrl_dat.o: No such file or directory
f95: mdin_ewald_dat.o: No such file or directory
f95: prmtop_dat.o: No such file or directory
f95: inpcrd_dat.o: No such file or directory
f95: dynamics_dat.o: No such file or directory
f95: img.o: No such file or directory
f95: parallel_dat.o: No such file or directory
f95: parallel.o: No such file or directory
f95: gb_parallel.o: No such file or directory
f95: pme_direct.o: No such file or directory
f95: pme_recip_dat.o: No such file or directory
f95: pme_slab_recip.o: No such file or directory
f95: pme_blk_recip.o: No such file or directory
f95: pme_slab_fft.o: No such file or directory
f95: pme_blk_fft.o: No such file or directory
f95: pme_fft_dat.o: No such file or directory
f95: fft1d.o: No such file or directory
f95: bspline.o: No such file or directory
f95: pme_force.o: No such file or directory
f95: pbc.o: No such file or directory
f95: nb_pairlist.o: No such file or directory
f95: nb_exclusions.o: No such file or directory
f95: cit.o: No such file or directory
f95: dynamics.o: No such file or directory
f95: bonds.o: No such file or directory
f95: angles.o: No such file or directory
f95: dihedrals.o: No such file or directory
f95: extra_pnts_nb14.o: No such file or directory
f95: runmd.o: No such file or directory
f95: loadbal.o: No such file or directory
f95: shake.o: No such file or directory
f95: prfs.o: No such file or directory
f95: mol_list.o: No such file or directory
f95: runmin.o: No such file or directory
f95: constraints.o: No such file or directory
f95: axis_optimize.o: No such file or directory
f95: gb_ene.o: No such file or directory
f95: veclib.o: No such file or directory
f95: gb_force.o: No such file or directory
f95: timers.o: No such file or directory
f95: pmemd_lib.o: No such file or directory
f95: runfiles.o: No such file or directory
f95: file_io.o: No such file or directory
f95: bintraj.o: No such file or directory
f95: pmemd.o: No such file or directory
f95: random.o: No such file or directory
f95: degcnt.o: No such file or directory
f95: erfcfun.o: No such file or directory
f95: nmr_calls.o: No such file or directory
f95: nmr_lib.o: No such file or directory
f95: get_cmdline.o: No such file or directory
f95: master_setup.o: No such file or directory
f95: pme_alltasks_setup.o: No such file or directory
f95: pme_setup.o: No such file or directory
f95: ene_frc_splines.o: No such file or directory
f95: gb_alltasks_setup.o: No such file or directory
f95: nextprmtop_section.o: No such file or directory
make[1]: *** [pmemd] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$
[pgreisen.n0001 pmemd]$ mpif90 -v
mpif90 for MPICH2 version 1.3.1
Using built-in specs.
Target: x86_64-redhat-linux
Configured with: ../configure --prefix=/usr --mandir=/usr/share/man
--infodir=/usr/share/info --enable-shared --enable-threads=posix
--enable-checking=release --with-system-zlib --enable-__cxa_atexit
--disable-libunwind-exceptions --enable-libgcj-multifile
--enable-languages=c,c++,objc,obj-c++,java,fortran,ada
--enable-java-awt=gtk --disable-dssi --disable-plugin
--with-java-home=/usr/lib/jvm/java-1.4.2-gcj-1.4.2.0/jre
--with-cpu=generic --host=x86_64-redhat-linux
Thread model: posix
gcc version 4.1.2 20080704 (Red Hat 4.1.2-52)
[pgreisen.n0001 pmemd]$ module
cmdModule.c(166):ERROR:11: Usage is 'module command [arguments ...] '
Modules Release 3.2.9 2011-11-24 (Copyright GNU GPL v2 1991):
Usage: module [ switches ] [ subcommand ] [subcommand-args ]
Switches:
-H|--help this usage info
-V|--version modules version & configuration options
-f|--force force active dependency resolution
-t|--terse terse format avail and list format
-l|--long long format avail and list format
-h|--human readable format avail and list format
-v|--verbose enable verbose messages
-s|--silent disable verbose messages
-c|--create create caches for avail and apropos
-i|--icase case insensitive
-u|--userlvl <lvl> set user level to (nov[ice],exp[ert],adv[anced])
Available SubCommands and Args:
+ add|load modulefile [modulefile ...]
+ rm|unload modulefile [modulefile ...]
+ switch|swap [modulefile1] modulefile2
+ display|show modulefile [modulefile ...]
+ avail [modulefile [modulefile ...]]
+ use [-a|--append] dir [dir ...]
+ unuse dir [dir ...]
+ update
+ refresh
+ purge
+ list
+ clear
+ help [modulefile [modulefile ...]]
+ whatis [modulefile [modulefile ...]]
+ apropos|keyword string
+ initadd modulefile [modulefile ...]
+ initprepend modulefile [modulefile ...]
+ initrm modulefile [modulefile ...]
+ initswitch modulefile1 modulefile2
+ initlist
+ initclear
[pgreisen.n0001 pmemd]$ module list
Currently Loaded Modulefiles:
1) modules
[pgreisen.n0001 pmemd]$ module load intel-openmpi
[pgreisen.n0001 pmemd]$ mpif90 -v
ifort version 12.1.5
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -xW -ip -O3 gbl_constants.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_datatypes.fpp gbl_datatypes.f90
mpif90 -c -auto -xW -ip -O3 gbl_datatypes.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC state_info.fpp
state_info.f90
mpif90 -c -auto -xW -ip -O3 state_info.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io_dat.fpp
file_io_dat.f90
mpif90 -c -auto -xW -ip -O3 file_io_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp
pmemd_lib.f90
mpif90 -c -auto -xW -ip -O3 pmemd_lib.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
parallel_dat.fpp parallel_dat.f90
mpif90 -c -auto -xW -ip -O3 parallel_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io.fpp
file_io.f90
mpif90 -c -auto -xW -ip -O3 file_io.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ctrl_dat.fpp mdin_ctrl_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ctrl_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
axis_optimize.fpp axis_optimize.f90
mpif90 -c -auto -xW -ip -O3 axis_optimize.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC fft1d.fpp
fft1d.f90
mpif90 -c -auto -xW -ip -O3 fft1d.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nextprmtop_section.fpp nextprmtop_section.f90
mpif90 -c -auto -xW -ip -O3 nextprmtop_section.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prmtop_dat.fpp
prmtop_dat.f90
mpif90 -c -auto -xW -ip -O3 prmtop_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ewald_dat.fpp mdin_ewald_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ewald_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
mdin_ewald_dat.f90(842): remark #8291: Recommended relationship
between field width 'W' and the number of fractional digits 'D' in
this edit descriptor is 'W>=D+7'.
9006 format (5x,'Cutoff=',f9.3,3x,'Tol =',e9.3)
---------------------------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC inpcrd_dat.fpp
inpcrd_dat.f90
mpif90 -c -auto -xW -ip -O3 inpcrd_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC mol_list.fpp
mol_list.f90
mpif90 -c -auto -xW -ip -O3 mol_list.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
extra_pnts_nb14.fpp extra_pnts_nb14.f90
mpif90 -c -auto -xW -ip -O3 extra_pnts_nb14.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prfs.fpp
prfs.f90
mpif90 -c -auto -xW -ip -O3 prfs.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
dynamics_dat.fpp dynamics_dat.f90
mpif90 -c -auto -xW -ip -O3 dynamics_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC random.fpp
random.f90
mpif90 -c -auto -xW -ip -O3 random.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dynamics.fpp
dynamics.f90
mpif90 -c -auto -xW -ip -O3 dynamics.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pbc.fpp pbc.f90
mpif90 -c -auto -xW -ip -O3 pbc.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC img.fpp img.f90
mpif90 -c -auto -xW -ip -O3 img.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC timers.fpp
timers.f90
mpif90 -c -auto -xW -ip -O3 timers.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bspline.fpp
bspline.f90
mpif90 -c -auto -xW -ip -O3 bspline.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_recip_dat.fpp pme_recip_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_recip_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_fft_dat.fpp
pme_fft_dat.f90
mpif90 -c -auto -xW -ip -O3 pme_fft_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_blk_fft.fpp
pme_blk_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_fft.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_fft.fpp pme_slab_fft.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_fft.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC constraints.fpp
constraints.f90
mpif90 -c -auto -xW -ip -O3 constraints.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC shake.fpp
shake.f90
mpif90 -c -auto -xW -ip -O3 shake.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_lib.fpp
nmr_lib.f90
mpif90 -c -auto -xW -ip -O3 nmr_lib.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_calls.fpp
nmr_calls.f90
mpif90 -c -auto -xW -ip -O3 nmr_calls.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC angles.fpp
angles.f90
mpif90 -c -auto -xW -ip -O3 angles.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bonds.fpp
bonds.f90
mpif90 -c -auto -xW -ip -O3 bonds.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC cit.fpp cit.f90
mpif90 -c -auto -xW -ip -O3 cit.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dihedrals.fpp
dihedrals.f90
mpif90 -c -auto -xW -ip -O3 dihedrals.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nb_exclusions.fpp nb_exclusions.f90
mpif90 -c -auto -xW -ip -O3 nb_exclusions.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC parallel.fpp
parallel.f90
mpif90 -c -auto -xW -ip -O3 parallel.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_parallel.fpp
gb_parallel.f90
mpif90 -c -auto -xW -ip -O3 gb_parallel.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nb_pairlist.fpp
nb_pairlist.f90
mpif90 -c -auto -xW -ip -O3 nb_pairlist.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC loadbal.fpp
loadbal.f90
mpif90 -c -auto -xW -ip -O3 loadbal.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: l_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_blk_recip.fpp pme_blk_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_blk_recip.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: k_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_get_grid_weights_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: e_blk_recip_mod_mp_get_grid_weights_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_recip.fpp pme_slab_recip.f90
mpif90 -c -auto -xW -ip -O3 pme_slab_recip.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_atm_redist_freq_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_atm_redist_freq_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_status_ignore_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_status_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_angle_allocsize_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_angle_allocsize_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_dihed_allocsize_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_dihed_allocsize_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
ene_frc_splines.fpp ene_frc_splines.f90
mpif90 -c -auto -xW -ip -O3 ene_frc_splines.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
ene_frc_splines.f90(1): warning #5462: Global name too long, shortened
from: ene_frc_splines_mod_mp_init_ene_frc_splines_dat_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: e_frc_splines_mod_mp_init_ene_frc_splines_dat_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_direct.fpp
pme_direct.f90
mpif90 -c -auto -xW -ip -O3 pme_direct.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bintraj.fpp
bintraj.f90
mpif90 -c -auto -xW -ip -O3 bintraj.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runfiles.fpp
runfiles.f90
mpif90 -c -auto -xW -ip -O3 runfiles.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
runfiles.f90(449): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
3 format(a, 20(e16.10, 2x))
----------------^
runfiles.f90(448): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
2 format(a, i8, 20(2x, e16.10))
------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_force.fpp
pme_force.f90
mpif90 -c -auto -xW -ip -O3 pme_force.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
pme_force.f90(1208): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
37 format(5x, 'Atomic VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1198): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
36 format(5x, 'E14 VIRIAL: ', 3(1x, e14.8))
-----------------------------------------^
pme_force.f90(1187): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
35 format(5x, 'Self VIRIAL: ', 3(1x, e14.8))
------------------------------------------^
pme_force.f90(1176): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
34 format(5x, 'Recip Disp. VIRIAL: ', 3(1x, e14.8))
-------------------------------------------------^
pme_force.f90(1165): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
33 format(5x, 'Adjust VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1154): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
38 format(5x, 'Dir Sum EE vir trace: ', e14.8)
---------------------------------------------^
pme_force.f90(1151): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
32 format(5x, 'Direct VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1140): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
31 format(5x, 'Reciprocal VIRIAL: ', 3(1x, e14.8))
------------------------------------------------^
pme_force.f90(1125): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
30 format(5x, 'MOLECULAR VIRIAL: ', 3(1x, e14.8))
-----------------------------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC degcnt.fpp
degcnt.f90
mpif90 -c -auto -xW -ip -O3 degcnt.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_ene.fpp
gb_ene.f90
mpif90 -c -auto -xW -ip -O3 gb_ene.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_force.fpp
gb_force.f90
mpif90 -c -auto -xW -ip -O3 gb_force.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmd.fpp
runmd.f90
mpif90 -c -auto -xW -ip -O3 runmd.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmin.fpp
runmin.f90
mpif90 -c -auto -xW -ip -O3 runmin.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC veclib.fpp
veclib.f90
mpif90 -c -auto -xW -ip -O3 veclib.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gb_alltasks_setup.fpp gb_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 gb_alltasks_setup.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_alltasks_setup.fpp pme_alltasks_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_alltasks_setup.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_setup.fpp
pme_setup.f90
mpif90 -c -auto -xW -ip -O3 pme_setup.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
pme_setup.f90(423): error #6404: This name does not have a type, and
must have an explicit type. [NATOM]
do n = 1, natom
------------^
compilation aborted for pme_setup.f90 (code 1)
make[1]: *** [pme_setup.o] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ make clean
cd src && rm -f *.f90 *.o *.mod pmemd *.d work.pc*
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_constants.fpp gbl_constants.f90
mpif90 -c -auto -xW -ip -O3 gbl_constants.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gbl_datatypes.fpp gbl_datatypes.f90
mpif90 -c -auto -xW -ip -O3 gbl_datatypes.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC state_info.fpp
state_info.f90
mpif90 -c -auto -xW -ip -O3 state_info.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io_dat.fpp
file_io_dat.f90
mpif90 -c -auto -xW -ip -O3 file_io_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd_lib.fpp
pmemd_lib.f90
mpif90 -c -auto -xW -ip -O3 pmemd_lib.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
parallel_dat.fpp parallel_dat.f90
mpif90 -c -auto -xW -ip -O3 parallel_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC file_io.fpp
file_io.f90
mpif90 -c -auto -xW -ip -O3 file_io.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ctrl_dat.fpp mdin_ctrl_dat.f90
mpif90 -c -auto -xW -ip -O3 mdin_ctrl_dat.f90
ifort: command line remark #10279: option '-xW' is deprecated and will
be removed in a future release. See '-help deprecated'
make[1]: *** Deleting file `mdin_ctrl_dat.o'
make[1]: *** [mdin_ctrl_dat.o] Interrupt
make: *** [install] Interrupt
[pgreisen.n0001 pmemd]$ emacs config.h
[pgreisen.n0001 pmemd]$ make install
cd src && make install
make[1]: Entering directory `/home/pgreisen/amber10/src/pmemd/src'
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ctrl_dat.fpp mdin_ctrl_dat.f90
mpif90 -c -auto -ip -O3 mdin_ctrl_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
axis_optimize.fpp axis_optimize.f90
mpif90 -c -auto -ip -O3 axis_optimize.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC fft1d.fpp
fft1d.f90
mpif90 -c -auto -ip -O3 fft1d.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nextprmtop_section.fpp nextprmtop_section.f90
mpif90 -c -auto -ip -O3 nextprmtop_section.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prmtop_dat.fpp
prmtop_dat.f90
mpif90 -c -auto -ip -O3 prmtop_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
mdin_ewald_dat.fpp mdin_ewald_dat.f90
mpif90 -c -auto -ip -O3 mdin_ewald_dat.f90
mdin_ewald_dat.f90(842): remark #8291: Recommended relationship
between field width 'W' and the number of fractional digits 'D' in
this edit descriptor is 'W>=D+7'.
9006 format (5x,'Cutoff=',f9.3,3x,'Tol =',e9.3)
---------------------------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC inpcrd_dat.fpp
inpcrd_dat.f90
mpif90 -c -auto -ip -O3 inpcrd_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC mol_list.fpp
mol_list.f90
mpif90 -c -auto -ip -O3 mol_list.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
extra_pnts_nb14.fpp extra_pnts_nb14.f90
mpif90 -c -auto -ip -O3 extra_pnts_nb14.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC prfs.fpp
prfs.f90
mpif90 -c -auto -ip -O3 prfs.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
dynamics_dat.fpp dynamics_dat.f90
mpif90 -c -auto -ip -O3 dynamics_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC random.fpp
random.f90
mpif90 -c -auto -ip -O3 random.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dynamics.fpp
dynamics.f90
mpif90 -c -auto -ip -O3 dynamics.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pbc.fpp pbc.f90
mpif90 -c -auto -ip -O3 pbc.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC img.fpp img.f90
mpif90 -c -auto -ip -O3 img.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC timers.fpp
timers.f90
mpif90 -c -auto -ip -O3 timers.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bspline.fpp
bspline.f90
mpif90 -c -auto -ip -O3 bspline.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_recip_dat.fpp pme_recip_dat.f90
mpif90 -c -auto -ip -O3 pme_recip_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_fft_dat.fpp
pme_fft_dat.f90
mpif90 -c -auto -ip -O3 pme_fft_dat.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_blk_fft.fpp
pme_blk_fft.f90
mpif90 -c -auto -ip -O3 pme_blk_fft.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_fft.fpp pme_slab_fft.f90
mpif90 -c -auto -ip -O3 pme_slab_fft.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC constraints.fpp
constraints.f90
mpif90 -c -auto -ip -O3 constraints.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC shake.fpp
shake.f90
mpif90 -c -auto -ip -O3 shake.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_lib.fpp
nmr_lib.f90
mpif90 -c -auto -ip -O3 nmr_lib.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nmr_calls.fpp
nmr_calls.f90
mpif90 -c -auto -ip -O3 nmr_calls.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC angles.fpp
angles.f90
mpif90 -c -auto -ip -O3 angles.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bonds.fpp
bonds.f90
mpif90 -c -auto -ip -O3 bonds.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC cit.fpp cit.f90
mpif90 -c -auto -ip -O3 cit.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC dihedrals.fpp
dihedrals.f90
mpif90 -c -auto -ip -O3 dihedrals.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
nb_exclusions.fpp nb_exclusions.f90
mpif90 -c -auto -ip -O3 nb_exclusions.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC parallel.fpp
parallel.f90
mpif90 -c -auto -ip -O3 parallel.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_parallel.fpp
gb_parallel.f90
mpif90 -c -auto -ip -O3 gb_parallel.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC nb_pairlist.fpp
nb_pairlist.f90
mpif90 -c -auto -ip -O3 nb_pairlist.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC loadbal.fpp
loadbal.f90
mpif90 -c -auto -ip -O3 loadbal.f90
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: oadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
loadbal.f90(1): warning #5462: Global name too long, shortened from:
loadbal_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: l_mod_mp_calc_new_img_distribution_excl_recip_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_blk_recip.fpp pme_blk_recip.f90
mpif90 -c -auto -ip -O3 pme_blk_recip.f90
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: me_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: k_recip_mod_mp_claim_blk_recip_imgs_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
pme_blk_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_blk_recip_mod_mp_get_grid_weights_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: e_blk_recip_mod_mp_get_grid_weights_nonorthog_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_slab_recip.fpp pme_slab_recip.f90
mpif90 -c -auto -ip -O3 pme_slab_recip.f90
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_blk_y_divisor_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_atm_redist_freq_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_atm_redist_freq_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.mdin_ewald_dat_mod_mp_fft_grids_per_ang_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_status_ignore_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_status_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_statuses_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
to: _slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.parallel_dat_mod_mp_mpi_errcodes_ignore_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_angle_allocsize_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_angle_allocsize_
^
pme_slab_recip.f90(1): warning #5462: Global name too long, shortened
from: pme_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_dihed_allocsize_
to: me_slab_recip_mod_mp_claim_slab_recip_imgs_nonorthog_$BLK.prmtop_dat_mod_mp_gbl_dihed_allocsize_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
ene_frc_splines.fpp ene_frc_splines.f90
mpif90 -c -auto -ip -O3 ene_frc_splines.f90
ene_frc_splines.f90(1): warning #5462: Global name too long, shortened
from: ene_frc_splines_mod_mp_init_ene_frc_splines_dat_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
to: e_frc_splines_mod_mp_init_ene_frc_splines_dat_$BLK.mdin_ctrl_dat_mod_mp_no_intermolecular_bonds_
^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_direct.fpp
pme_direct.f90
mpif90 -c -auto -ip -O3 pme_direct.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC bintraj.fpp
bintraj.f90
mpif90 -c -auto -ip -O3 bintraj.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runfiles.fpp
runfiles.f90
mpif90 -c -auto -ip -O3 runfiles.f90
runfiles.f90(449): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
3 format(a, 20(e16.10, 2x))
----------------^
runfiles.f90(448): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
2 format(a, i8, 20(2x, e16.10))
------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_force.fpp
pme_force.f90
mpif90 -c -auto -ip -O3 pme_force.f90
pme_force.f90(1208): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
37 format(5x, 'Atomic VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1198): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
36 format(5x, 'E14 VIRIAL: ', 3(1x, e14.8))
-----------------------------------------^
pme_force.f90(1187): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
35 format(5x, 'Self VIRIAL: ', 3(1x, e14.8))
------------------------------------------^
pme_force.f90(1176): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
34 format(5x, 'Recip Disp. VIRIAL: ', 3(1x, e14.8))
-------------------------------------------------^
pme_force.f90(1165): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
33 format(5x, 'Adjust VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1154): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
38 format(5x, 'Dir Sum EE vir trace: ', e14.8)
---------------------------------------------^
pme_force.f90(1151): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
32 format(5x, 'Direct VIRIAL: ', 3(1x, e14.8))
--------------------------------------------^
pme_force.f90(1140): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
31 format(5x, 'Reciprocal VIRIAL: ', 3(1x, e14.8))
------------------------------------------------^
pme_force.f90(1125): remark #8291: Recommended relationship between
field width 'W' and the number of fractional digits 'D' in this edit
descriptor is 'W>=D+7'.
30 format(5x, 'MOLECULAR VIRIAL: ', 3(1x, e14.8))
-----------------------------------------------^
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC degcnt.fpp
degcnt.f90
mpif90 -c -auto -ip -O3 degcnt.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_ene.fpp
gb_ene.f90
mpif90 -c -auto -ip -O3 gb_ene.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC gb_force.fpp
gb_force.f90
mpif90 -c -auto -ip -O3 gb_force.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmd.fpp
runmd.f90
mpif90 -c -auto -ip -O3 runmd.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC runmin.fpp
runmin.f90
mpif90 -c -auto -ip -O3 runmin.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC veclib.fpp
veclib.f90
mpif90 -c -auto -ip -O3 veclib.f90
mpicc -c pmemd_clib.c
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
gb_alltasks_setup.fpp gb_alltasks_setup.f90
mpif90 -c -auto -ip -O3 gb_alltasks_setup.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC
pme_alltasks_setup.fpp pme_alltasks_setup.f90
mpif90 -c -auto -ip -O3 pme_alltasks_setup.f90
/lib/cpp -traditional -P -I/sw/intel/impi/4.0.3.008//include -DPUBFFT
-DMPI -DDIRFRC_EFS -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pme_setup.fpp
pme_setup.f90
mpif90 -c -auto -ip -O3 pme_setup.f90
pme_setup.f90(423): error #6404: This name does not have a type, and
must have an explicit type. [NATOM]
do n = 1, natom
------------^
compilation aborted for pme_setup.f90 (code 1)
make[1]: *** [pme_setup.o] Error 1
make[1]: Leaving directory `/home/pgreisen/amber10/src/pmemd/src'
make: *** [install] Error 2
[pgreisen.n0001 pmemd]$ mpif90 -v
ifort version 12.1.5
[pgreisen.n0001 pmemd]$ mpif90 -show
ifort -I/sw/openmpi-1.6_intel/include -I/sw/openmpi-1.6_intel/lib
-L/sw/openmpi-1.6_intel/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -lnuma
-Wl,--export-dynamic -lrt -lnsl -lutil
[pgreisen.n0001 pmemd]$ more
config_data/ config.h~ makef90depends persnotes src/
config.h configure Makefile README
[pgreisen.n0001 pmemd]$ more persnotes
./configure linux64_opteron ifort intelmpi nobintraj
[pgreisen.n0001 pmemd]$ less config.h
NETCDF_HOME =
NETCDF_DEFINES =
NETCDF_MOD =
NETCDF_LIBS =
MPI_HOME = /sw/intel/impi/4.0.3.008/
MPI_DEFINES = -DMPI
MPI_INCLUDE = -I$(MPI_HOME)/include
MPI_LIBDIR = $(MPI_HOME)/lib64
MPI_LIBS = -L$(MPI_LIBDIR) -lmpiif
DIRFRC_DEFINES = -DDIRFRC_EFS -DDIRFRC_NOVEC
CPP = /lib/cpp
CPPFLAGS = -traditional -P
F90_DEFINES = -DFFTLOADBAL_2PROC
F90 = mpif90
MODULE_SUFFIX = mod
F90FLAGS = -c -auto
F90_OPT_DBG = -g -traceback
F90_OPT_LO = -O0
F90_OPT_MED = -O2
F90_OPT_HI = -ip -O3
F90_OPT_DFLT = $(F90_OPT_HI)
CC = mpicc
CFLAGS =
LOAD = mpif90
LOADFLAGS =
LOADLIBS = -limf -lsvml -Wl,-rpath=$(IFORT_RPATH)
(END)
where I have removed some optimization flags (top, xW) as these were
termed deprecated. The error I is
pme_setup.f90(423): error #6404: This name does not have a type, and
must have an explicit type. [NATOM]
do n = 1, natom
------------^
compilation aborted for pme_setup.f90 (code 1)
I have read it might be a compiler error for the 11-version of intel
but this is version 12 so I do not know how to proceeds.
Thanks
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Received on Thu Jul 26 2012 - 20:30:03 PDT
