Hi David,
This is result when I run "test_amber_cuda.sh":
./test_amber_cuda.sh
Using default GPU_ID = -1
Using default PREC_MODEL = SPDP
make[1]: Entering directory `/opt/amber11/test'
cd cuda && make -k test.pmemd.cuda GPU_ID=-1 PREC_MODEL=SPDP
make[2]: Entering directory `/opt/amber11/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
Precision Model = SPDP
GPU_ID = -1
------------------------------------
cd trpcage/ && ./Run_md_trpcage -1 SPDP netcdf.mod
diffing trpcage_md.out.GPU_SPDP with trpcage_md.out
PASSED
==============================================================
cd myoglobin/ && ./Run_md_myoglobin -1 SPDP netcdf.mod
diffing myoglobin_md.out.GPU_SPDP with myoglobin_md.out
PASSED
*.....(all Implicit solvent tests PASSED),Then, it stood still (no update
for long time) at line "cd 4096wat/ && ./Run.pure_wat -1 SPDP netcdf.mod"*
cd gb_ala3/ && ./Run.irest1_ntt1_igb1_ntc2 -1 SPDP netcdf.mod
diffing irest1_ntt1_igb1_ntc2.out.GPU_SPDP with irest1_ntt1_igb1_ntc2.out
PASSED
==============================================================
------------------------------------
Running CUDA Explicit solvent tests.
Precision Model = SPDP
GPU_ID = -1
------------------------------------
cd 4096wat/ && ./Run.pure_wat -1 SPDP netcdf.mod
Is that my installation's mistake?
Thanks,
Khuong
On Wed, Jan 14, 2015 at 9:31 PM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Wed, Jan 14, 2015, Khuong Truong Gia wrote:
> >
> > I am very new on Amber, and I have a question that need help.
> > I installed Amber11 with CUDA-enabled (following this link:
> > http://jswails.wikidot.com/installing-amber11-and-ambertools-1-5) on my
> PC.
> > My PC's VGA is GTX580.
> > I installed NVIDIA driver: NVIDIA-Linux-x86_64-340.58.
> > I have tried with 2 CUDA toolkits (ver6.5 and ver5.0).
> > When I run pmemd.cuda:
> > pmemd.cuda -O -i ../md.in -o mdout -p ../wat.top -c eq.rst -r md.rst -x
> > md.mdcrd -inf md.inf
> >
> > I saw that it run but there is no output file is updated (after a long
> time
> > (longest time is more than a day)).
>
> What are the results of the test cases? Reporting results from those
> removes
> the chance that there is some error in your input files.
>
> Amber11 is five years old, which is forever in GPU terms. In particular,
> it
> is earlier than any of the current NVIDIA toolkits or drivers. I'd
> strongly
> recommend an update to Amber14.
>
> ...goodl luck....dac
>
>
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Received on Thu Jan 15 2015 - 00:30:04 PST
