Works at this end with either GNU or Intel, Ross?
-----Original Message-----
From: case [mailto:case.biomaps.rutgers.edu]
Sent: Thursday, February 10, 2011 06:15
To: amber-developers.ambermd.org
Subject: [AMBER-Developers] problems with latest updates to CUDA code
I'm having trouble with the latest git updates to the cuda code:
make[3]: Leaving directory `/home/case/amber11/src/pmemd/src/cuda'
ifort -ipo -O3 -no-prec-div -xHost -DCUDA -o pmemd.cuda 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 -L/usr/local/cuda/lib64
-L/usr/local/cuda/lib -lcufft -lcudart ./cuda/cuda.a
/home/case/amber11/lib/libnetcdf.a -shared-intel -Wl,--start-group
/cottus/opt/intel/Compiler/11.1/069/mkl/lib/em64t/libmkl_intel_lp64.a
/cottus/opt/intel/Compiler/11.1/069/mkl/lib/em64t/libmkl_sequential.a
/cottus/opt/intel/Compiler/11.1/069/mkl/lib/em64t/libmkl_core.a
-Wl,--end-group -lpthread
ipo: warning #11020: unresolved gpu_get_nb_energy_
Referenced in /tmp/ipo_ifort1hg2Wz.o
ipo: warning #11020: unresolved gpu_vdw_correction_
Referenced in /tmp/ipo_ifort1hg2Wz.o
....etc
The problem appears to be with gpu.cpp. When compiled with either icc
(which is what the Makefile uses) or icpc, the resulting gpu.o does not have
any symbols in it(!?!). I can't see the problem. Intel compiler version
is 11.1.069.
Using gnu compilers seems fine, so I can go that way. But intel compilers
*had* been working, up until this last update.
....dac
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Received on Thu Feb 10 2011 - 06:30:06 PST
