Thank you for your advice.
I do not have copy of Amber16, when I extract Amber12 and AmberTools17, two
folders are created amber12 and amber16.
I need apply an external electric fields into a system. Should I have the
amber GPU version for running pmemd or is there another way?
Best regards.
On Mon, Jul 2, 2018 at 4:32 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> 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
> Ross
>
> > On Jun 30, 2018, at 08:47, Zahra Khatti <khatti.zahra60.gmail.com>
> 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'
> > ./test_amber_clean.sh
> > ./test_amber_clean.sh: 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
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
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>
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Received on Tue Jul 03 2018 - 08:30:02 PDT
