Have you ttied running this s=imulation in a CPU-driven system first ?
It would give you an idea if the problem is GPU (I doubt it), or rather
your input (Which I suspect)
The error message seems reasonable to me: "could not read velocities
from crd file". So, are there velocities in your crd file ? Your input
is saying that there are, but probably, there are not there.
Adrian
On 10/19/10 10:37 AM, Ashutosh Shandilya wrote:
> Shandilya Ashutosh
>
>
>
> On 18 October 2010 12:42, Ashutosh Shandilya<izerokelvin.gmail.com> wrote:
>
>> Hi all
>> I am trying to run simulation on Tesla C2070 cuda machines (Amber11).I
>> gives the output as STOP PMEMD terminated abnormally! and the out file says
>> could not read velocities from crd file.
>> My input file is
>> &cntrl
>> imin = 0,
>> irest = 1,
>> ntx=5,
>> ntb=2,
>> ntp = 1,
>> taup=2.0,
>> cut = 10,
>> ntc = 2,
>> ntf = 2,
>> tempi = 300,
>> temp0 = 300,
>> ntt = 3,
>> gamma_ln = 1.0,
>> nstlim =10000000, dt = 0.001,
>> ntpr =10000, ntwx = 10000, ntwr = 10000
>> /
>> Kindly have a look.
>> regards
>> Shandilya Ashutosh
>>
>>
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--
Dr. Adrian E. Roitberg
Associate Professor
Quantum Theory Project, Department of Chemistry
University of Florida
Senior Editor. Journal of Physical Chemistry.
on Sabbatical in Barcelona until August 2011.
Email roitberg.ufl.edu
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Received on Tue Oct 19 2010 - 02:00:05 PDT
