The g95 problem with gb_rna/Run.sgld is solved by modifying the SGLD array
allocations in locmem.f.
For Langevin dynamics simulation, modifications are made to allow
non-periodic systems be centered every nscm steps, instead of COM motion
being stopped. Related testcase output files have been updated.
Thanks!
Xiongwu
> -----Original Message-----
> From: Michael Crowley [mailto:crowley.scripps.edu]
> Sent: Friday, April 29, 2005 3:55 PM
> To: amber-developers.scripps.edu
> Subject: amber-developers: g95 seg fault/amber9 current cvs
>
>
> current cvs g95 problem
>
> Dear all,
> I just checked in some changes and they seem to have broken the
> sgld test: gb_rna/Run.sgld
> The symptom is very odd, only seems to be in g95, and is in
> the closing of
> files in dynlib.f:close_dump_files, or at least so the debugger says.
> I have not changed anything that is related to this code that
> I know of.
> Otherwise, the output is fine.
>
> I have not made a point of deallocating my memory
> allocations, could that
> be a problem?
>
> I am stuck on this one, any help is welcome.
> Thanks,
> Mike
>
>
> -----------------------------------------------------------------
> Physical mail: Dr. Michael F. Crowley
> Department of Molecular Biology, TPC6
> The Scripps Research Institute
> 10550 North Torrey Pines Road
> La Jolla, California 92037
>
> Electronic mail: crowley.scripps.edu
> Telephone: 858/784-9290
> Fax: 858/784-8688
> -----------------------------------------------------------------
>
Received on Wed Apr 05 2006 - 23:49:56 PDT
