[gmx-users] running CPMD with GROMACS interface in SGI irix 6.5

[Pradip Kumar Biswas]

James,

Could you please send me the 'output.mdrun_xx'  (xx=em or md) file 
where this error message is printed? Which CPMD version are you using?

Pradip.

On Sep 12, 2006, at 9:10 PM, james zhang wrote:

> Hi
>  
> I got some trouble in running CPMD with GROMACS interface in SGI irix 
> 6.5. Thanks in advance
>  
> the error is
>
>  [PEAK NUMBER  116]       PEAK MEMORY      14169180 =  113.4 MBytes
>  [ALL. NUMBER  116]      TOTAL MEMORY      13983696 =  111.9 MBytes
>  ==================================================================
>
>
>  PROGRAM STOPS IN SUBROUTINE MEMORY_CHECK|  CORRUPTED MEMORY [PROC=   
> 8]
>  EIGV         390897072 CORRUPTED   390994624 CORRUPTED       12193
>  SC0          390994640 CORRUPTED   391254032 CORRUPTED       32423
>  PME          391254048 CORRUPTED   391513440 CORRUPTED       32423
>  GDE          391513456 CORRUPTED   391772848 CORRUPTED       32423
>  HGPOT        391860984 CORRUPTED   392180992 CORRUPTED       40000
>  HIPZ         392181008 CORRUPTED   394741016 CORRUPTED      320000
>  NZFFP        394741032 CORRUPTED   396297320 CORRUPTED      194535
>  NZFSP        396297336 CORRUPTED   396987776 CORRUPTED       86304
>     396987792 CORRUPTED   403238296 CORRUPTED      781312
>     403238312 CORRUPTED   416826464 CORRUPTED     1698518
>  ------------------------------------------------------------------
>  [PEAK NUMBER  116]       PEAK MEMORY      14169180 =  113.4 MBytes
>  [ALL. NUMBER  116]      TOTAL MEMORY      13983696 =  111.9 MBytes
>  ==================================================================
>
>
>  PROGRAM STOPS IN SUBROUTINE MEMORY_CHECK|  CORRUPTED MEMORY [PROC=   
> 9]
>  [PEAK NUMBER  116]       PEAK MEMORY      14169180 =  113.4 MBytes
>  [ALL. NUMBER  116]      TOTAL MEMORY      13983696 =  111.9 MBytes
>  ==================================================================
>
>
>  PROGRAM STOPS IN SUBROUTINE MEMORY_CHECK|  CORRUPTED MEMORY [PROC=  
> 10]
> PC: 0xb18ca40 MPI_SGI_stacktraceback in /usr/lib64/libmpi.so
> PC: 0xb1b5e30 PMPI_Abort in /usr/lib64/libmpi.so
> PC: 0xb1e84b8 pmpi_abort_ in /usr/lib64/libmpi.so
> PC: 0x10624edc stopgm in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x1049884c memory_check in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x1051866c testex in /home/irix/meen/jzhang/qmmm/CPMD- 
> 3.11.1/SOURCE/cpmd.x
> PC: 0x10447cd4 updwf in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x10399770 interface in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x10633614 interpt in /home/irix/meen/jzhang/qmmm/CPMD- 
> 3.11.1/SOURCE/cpmd.x
> PC: 0x10698438 cpmd in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x10698510 cpmd_stuttgart in 
> /home/irix/meen/jzhang/qmmm/CPMD-3.11.1/SOURCE/cpmd.x
> PC: 0x291fc34 main in /usr/lib64/libftn.so
>
>
> -- 
> Sincerely yours,
> James jianzhang
> Department of Mechanical and Chemical Engineering
> North Carolina Agricultural and Technical State University
> 1601 East Market Street
> Greensboro, NC 27411
>  
>
>
> -- 
> Sincerely yours,
> James jianzhang
> Department of Mechanical and Chemical Engineering
> North Carolina Agricultural and Technical State University
> 1601 East Market Street
>  Greensboro, NC 27411
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--
Pradip K. Biswas, PhD.
Research Associate, Department of Chemistry;
Cleveland State University, Ohio-44115
Phone: 1-216-875-9723
http://comppsi.csuohio.edu/groups/people/biswas.html
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