Hi Mohammad,
Do you get any other errors than just 'program error'?
Could you try running one of the tests manually?
cd $AMBERHOME/test/cuda/trpcage/
./Run_md_trpcage -1 SPDP
Then post the messages you get to the screen and also the contents of
trpcage_md.out
All the best
Ross
> -----Original Message-----
> From: Mohammad Ashraf Bhuiyan [mailto:akasheee.gmail.com]
> Sent: Monday, April 02, 2012 5:44 PM
> To: amber.ambermd.org
> Subject: [AMBER] Amber GPU test fails
>
> Hi,
> I installed Amber cpu version and works fine.
>
> Then i tried GPU version. I applied latest bugfixes for Ambertools 1.5
> and Amber11. The Amber11 is also installed for cuda without any
> errors. But when I tried with the test,
> ./test_amber_cuda.sh, then it throws error, such as:
>
> bash-4.1$ ./test_amber_cuda.sh
> Using default GPU_ID = -1
> Using default PREC_MODEL = SPDP
> cd cuda && make -k test.pmemd.cuda GPU_ID=-1 PREC_MODEL=SPDP
> make[1]: Entering directory
> `/localdisk/ashraf/Amber/amber11_cuda/amber11/test/cuda'
> ------------------------------------
> Running CUDA Implicit solvent tests.
> Precision Model = SPDP
> GPU_ID = -1
> ------------------------------------
> cd trpcage/ && ./Run_md_trpcage -1 SPDP netcdf.mod
> ./Run_md_trpcage: Program error
> make[1]: *** [test.pmemd.cuda.gb] Error 1
> cd gb_ala3/ && ./Run.igb1_ntc1_min -1 SPDP netcdf.mod
> ./Run.igb1_ntc1_min: Program error
> make[1]: *** [test.pmemd.cuda.gb.serial] Error 1
> ------------------------------------
> Running CUDA Explicit solvent tests.
> Precision Model = SPDP
> GPU_ID = -1
> ------------------------------------
> cd 4096wat/ && ./Run.pure_wat -1 SPDP netcdf.mod
> ./Run.pure_wat: Program error
> make[1]: *** [test.pmemd.cuda.pme] Error 1
> make[1]: Target `test.pmemd.cuda' not remade because of errors.
> make[1]: Leaving directory
> `/localdisk/ashraf/Amber/amber11_cuda/amber11/test/cuda'
> make: *** [test.pmemd.cuda] Error 2
>
>
>
> Also I tried to run benchmark listed, such as DHFR NVE = 23,558 atoms
> given in the Amber website. It does not produce any output. It does
> not crash. But the mdout file only has the input listed, no output.
>
>
> Did anyone experience this kind of errors. Any idea will be
> appreciated?
> I am using Nvidia 2090 and it works fine for other CUDA code.
>
>
> --
> Best Regards
>
> Ashraf
>
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Received on Mon Apr 02 2012 - 21:30:03 PDT
