Re: [AMBER-Developers] problems with latest updates to CUDA code

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 10 Feb 2011 10:58:44 -0500

I'm getting the same errors on my box

ifort 11.1.069, nvcc release 3.2, V0.2.1221

GNU compilers (4.4.1) work just fine. Stupid intel...

--Jason

On Thu, Feb 10, 2011 at 9:29 AM, Ross Walker <ross.rosswalker.co.uk> wrote:

> 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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> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Feb 10 2011 - 08:00:02 PST
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