In the location of the cluster, /data/apps/cuda/6.5/lib, following files
are seen:
libcudadevrt.a libcudart.so libcudart.so.6.5 libcudart.so.6.5.14
libcudart_static.a
Also, some parts of the perl script is
$pmemd = "/data/apps/amber/amber14/cuda/bin/pmemd.cuda";
$command = "$pmemd -O -i $prodin -c $xyzin -p $top -o $out -x $crd -r $xyz";
system($command);
Thank you,
Mahendra Thapa
CSU Chico, CA
On Sun, Jul 2, 2017 at 10:23 PM, Thapa, Mahendra (thapamb) <
thapamb.mail.uc.edu> wrote:
>
>
>
> ________________________________________
> From: Bill Ross
> Sent: Sunday, July 2, 2017 8:23:18 PM (UTC-06:00) Central America
> To: amber.ambermd.org
> Subject: Re: [AMBER] Problem in cuda for AMBER 14
>
> Do you see /data/apps/cuda/6.5/lib/libcurand.so.6.5 on the machine in
> question?
>
> Bill
>
>
> On 7/2/17 7:09 PM, Mahendra B Thapa wrote:
> > Dear AMBER users,
> > I am trying to run cuda in AMBER 14 in a cluster for MD simulation. I am
> > getting the following error message with cuda 6.5
> >
> > /data/apps/amber/amber14/cuda/bin/pmemd.cuda: error while loading shared
> > libraries: libcurand.so.6.5: cannot open shared object file: No such file
> > or directory
> >
> > Following the previous post 'http://archive.ambermd.org/201409/0377.html
> ',
> > I also added the following line in my bashrc file:
> > export LD_LIBRARY_PATH="/data/apps/cuda/6.5/lib:${LD_LIBRARY_PATH}"
> >
> > I also tried with cuda 5.0 and cuda 5.5, the same message appeared and MD
> > simulation is unsuccessful. Any help will be appreciated.
> >
> > Thank you,
> > Mahendra Thapa
> > CSU Chico, CA
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sun Jul 02 2017 - 20:00:03 PDT
