Hi all,
I have been trying to install PMEMD using the ifort v9.1, intel-MKL
v9.1, lam v7.1.4 and pubfft libraries on the server (2 X intel Xeon
Dual-Core 2.6 GHz em64t) of a dedicated cluster computer system (76
nodes and 2 X intel Xeon Dual-Core 2.6 GHz em64t/node).
I got the following error message during the installation:
RFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC pmemd.fpp pmemd.f90
ifort -c -auto -tpp7 -xP -ip -O3 pmemd.f90
/lib/cpp -traditional -P -I/home_palamut2/software/library/lam/include
-DPUBFFT -DBINTRAJ -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS
-DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC erfcfun.fpp
erfcfun.f90
ifort -c -auto -tpp7 -xP -ip -O3 erfcfun.f90
ifort -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
/home_palamut2/software/application/amber10/src/netcdf/lib/libnetcdf.a
/opt/exp_soft/64/intel/mkl/lib/em64t/libmkl_em64t.a
-L/opt/exp_soft/64/intel/mkl/lib/em64t -lguide -lpthread
-L/home_palamut2/software/library/lam/lib -llamf77mpi -lmpi -llam -ldl
-lpthread -limf -lsvml
-Wl,-rpath=/lib64:/usr/lib64:/opt/exp_soft/64/intel/lib:/opt/exp_soft/64/intel/mkl/lib/em64t:/home_palamut2/software/library/lam/lib/:home_palamut2/software/application/amber10/src/netcdf/lib/:/opt/d-cache/dcap/lib:/opt/glite/lib:/opt/globus/lib:/opt/lcg/lib:/opt/log4cxx/lib/:/opt/xerces-c/lib/:/opt/c-ares/lib
/home_palamut2/software/library/lam/lib/liblam.so: undefined reference to `openpty'
make[1]: *** [pmemd] Error 1
make[1]: Leaving directory `/home_palamut2/software/application/amber10/src/pmemd/src'
make: *** [install] Error 2
I will appreciate it if someone let me know how to overcome the installation problem?
Thanks in advance,
Jenk
P.S. Currently we have PMEMD installed with mpich2 libraries. We also would like to install PMEMD with lam7.1.4 libraries.
Cenk Andac, M.S., Ph.D. Candidate
School of Pharmacy at
Gazi University-Ankara Turkiye
Address: Bandirma Sok. No:6
Etiler, Ankara, 06330 Turkey
Cell: +90-(536)-4813012
E-Mail:cenk_andac.yahoo.com
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Received on Wed Sep 10 2008 - 06:07:17 PDT
