Ross is on travel. I will try it next week.
> -----Original Message-----
> From: Scott Le Grand [mailto:SLeGrand.nvidia.com]
> Sent: Thursday, February 10, 2011 6:26 AM
> To: amber-developers.ambermd.org
> Subject: Re: [AMBER-Developers] problems with latest updates to CUDA
> code
>
> 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 - 06:30:08 PST
