[AMBER] About the PMEMD compiling for CUDA

From: Ross Walker <rosscwalker.gmail.com>
Date: Tue, 15 Sep 2009 22:26:19 -0700

Begin forwarded message:

> From: Ross Walker <rosscwalker.gmail.com>
> Date: September 15, 2009 22:25:11 PDT
> To: wang <c00jsw00.nchc.org.tw>
> Subject: Re: About the PMEMD compiling for CUDA
>

> Hi Wang,
>
> You 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
>
>
>
> On Sep 15, 2009, at 21:59, wang <c00jsw00.nchc.org.tw> wrote:
>
>> 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
>>
>> <c00jsw00.vcf>
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Received on Tue Sep 15 2009 - 22:30:03 PDT
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