AMBER Archive (2009)

Subject: RE: [AMBER] About the PMEMD compiling for CUDA

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Sep 16 2009 - 01:55:11 CDT

Hi Wang,

You likely do not have the cuda libraries installed properly or they are not
readable by your username. Check if libcudaart is in /opt/cuda/lib

Have you installed the cuda SDK? Can you compile everything in there ok?

All the best
Ross

> -----Original Message-----
> From: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org] On
> Behalf Of wang
> Sent: Tuesday, September 15, 2009 10:18 PM
> To: AMBER Mailing List
> Subject: [AMBER] About the PMEMD compiling for CUDA
>
> Dear all,
> This is my error messages. Could you tell me how to fix them ?
> THX
> Y.T Wang
>
>
> gfortran -o pmemd.cuda 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 \
> -L/opt/cuda/lib -lcudart ./cuda/cuda.a -Wl
> /usr/lib64/gcc/x86_64-suse-linux/4.3/../../../../x86_64-suse-
> linux/bin/ld:
> cannot find -lcudart
> collect2: ld returned 1 exit status
> make: *** [pmemd.cuda] Error 1

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