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

[james zhang]

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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