Hello,
I got following errors when I compiled Amber 11 and AmberTools 1.5
with intel compilers 11.1.
I started from the clean source codes and applied the recent
bugfix.all for both.
-----------------------------------------------------------
make[2]: Entering directory `/home/bkim/packages/amber11/src/pmemd/src'
ifort -ipo -O3 -no-prec-div -xHost -o pmemd gbl_constants.o
gbl_datatypes.o state_info.o file_io_dat.o mdin_ctrl_dat.o
mdin_ewald_dat.o mdin_debugf_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
angles_ub.o dihedrals_imp.o cmap.o charmm.o charmm_gold.o
/home/bkim/packages/amber11/lib/libnetcdf.a -shared-intel
ipo: error #11033: Il version for pmemd_clib.o (1.33188.2.1243) does
not match compiler's il version (1.33188.2.1170), please regenerate
ifort: error #10014: problem during multi-file optimization
compilation (code 1)
make[2]: *** [pmemd] Error 1
make[2]: Leaving directory `/home/bkim/packages/amber11/src/pmemd/src'
make[1]: *** [install] Error 2
make[1]: Leaving directory `/home/bkim/packages/amber11/src/pmemd'
make: *** [serial] Error 2
------------------------------------------------------
The configuration was done by
./configure -nomtkpp intel
to avoid zlib.h error on NETCDF.
Please let me know how to solve this error.
Thank you.
Bongkeun Kim
bkim at chem.ucsb.edu
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Received on Mon May 30 2011 - 03:30:03 PDT
