Re: [AMBER] Cuda

From: Ross Walker <>
Date: Mon, 2 Jul 2018 08:02:14 -0400

Hi Zahra

Your email is very confusing. You reference AMBER 12 with AmberTools 17 but then below the error message shows amber16. I am guessing you do not actually have a copy of Amber 16 and so are just untaring AmberTools 17, which untars into an amber16 directory and then are using that. AmberTools17 does not include the Amber GPU version. For this you need AmberTools17 + Amber16. Or AmberTools 18 + Amber 18. Do you have a copy of Amber 16?

With regards to Amer 12 if you do indeed have that version it will be in a directory called amber12. However that version is many years old now and will not work with new versions of CUDA or any of the new GPU models released in the last 5+ years.

All the best

> On Jun 30, 2018, at 08:47, Zahra Khatti <> wrote:
> Hi,
> I am using Amber12 and AmberTools17. I installed Cuda and compiled on Amber
> GPU version.
> But I can not run the tests using the default GPUs, I get this error by
> Make test:
> (cd test && make test.cuda.parallel)
> make[1]: Entering directory '/home/dr_khatti/amber16/test'
> ./
> ./ 1230: cd: can't cd to cuda/remd
> Makefile:1376: recipe for target 'clean' failed
> make[1]: [clean] Error 2 (ignored)
> Error: AMBERHOME should be defined or else some tests will fail !
> Makefile:1369: recipe for target 'is_amberhome_defined' failed
> make[1]: *** [is_amberhome_defined] Error 2
> make[1]: Leaving directory '/home/user/amber16/test'
> Makefile:97: recipe for target 'test.cuda_parallel' failed
> make: [test.cuda_parallel] Error 2 (ignored)
> I could not find Cuda Folder in test Folder. If it is possible send to me
> cuda test folder, please.
> Best regards.
> _______________________________________________
> AMBER mailing list

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Received on Mon Jul 02 2018 - 05:30:02 PDT
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