So evidently you haven't got all the libs on all the nodes.
Bill
On 7/2/17 7:30 PM, Mahendra B Thapa wrote:
> 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
