[gmx-users] Error in trjconv

[Tsjerk Wassenaar]

Hi Parthiban,

Do you have a particular reason for using the MPI version of trjconv?
Do you have the same error with the standard version?

Cheers,

Tsjerk

On Mon, Aug 18, 2008 at 6:12 AM, M.Parthiban <parthiban at ncbs.res.in> wrote:
> Hi
>
> I am encountering an error in file conversion from .trr file to .xtc file
> using trjconv command, and this is for a dimer and a ligand bound complex
> simulation. can you help me in knowing or to rectify this error which
> follows.,
>
> Thank you in advance
>
> Parthiban
> =======================================================================
> Will write xtc: Compressed trajectory (portable xdr format)
> trn version: GMX_trn_file (single precision)
> Reading frame       0 time    0.000
> Setting output precision to 0.001 (nm)
>
> Back Off! I just backed up dimer_md.xtc to ./#dimer_md.xtc.1#
>  ->  frame   1680 time  840.000        ->  frame   1600 time  800.000
> trjconv_mpi:18542 terminated with signal 11 at PC=32380ec1ee
> SP=7fbffed110.  Backtrace:
> /lib64/tls/libc.so.6(xdr_string+0xee)[0x32380ec1ee]
> trjconv_mpi[0x421dc0]
> trjconv_mpi[0x448d97]
> trjconv_mpi(read_next_frame+0x47a)[0x44b3fa]
> trjconv_mpi(gmx_trjconv+0x21db)[0x40ec6b]
> /lib64/tls/libc.so.6(__libc_start_main+0xdb)[0x323801c3fb]
> trjconv_mpi[0x40c77a]
> ========================================================================
>
>
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623