From: Fidan Sumbul (fidansumbul_at_gmail.com)
Date: Fri Oct 23 2015 - 06:08:40 CDT
Dear Dr. Fiorin,
Thank you for your answer, but that job was not a restart job. It cannot
read its own restart files after some steps. However, when I comment out
the "name " line in the metadynamics block, The same job finished without
any problem. I'm not sure that action is the real solution to the problem.
May be it is because of some communication problems between the nodes of
the cluster that the job was running.
On Thu, Oct 22, 2015 at 11:41 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
> That error message is printed when you read a restart file. When you do,
> check to make sure that the configurations are identical (same system, same
> colvars definition). If these are both identical, please submit a test
> input that reproduces the error at the first step.
> On Wed, Oct 21, 2015 at 5:31 PM, Fidan Sumbul <fidansumbul_at_gmail.com>
>> Dear NAMD users,
>> I submitted a 500000 step metadynamics simulation. At the beginning it
>> was running successfully, however after 291500th step it was terminated
>> with an error statement "colvars: Error: in the restart file, the
>> "metadynamics" block has a different name: different system?" although
>> the restart files exist. What could be the source of this error?
>> Any help would be greatly appreciated.
>> Fidan Sumbul
>> PhD Student and T.A.
>> Polymer Research Center
>> Department of Chemical Engineering
>> Bogazici University
> Giacomo Fiorin
> Assistant Professor of Research
> Institute for Computational Molecular Science (ICMS)
> College of Science and Technology, Temple University
> 1925 North 12th Street (035-07), Room 704D
> Philadelphia, PA 19122-1801
> Phone: +1-215-204-4213
-- Fidan Sumbul PhD Student and T.A. Polymer Research Center Department of Chemical Engineering Bogazici University
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:22:10 CST