UNABLE TO OPEN .psf FILE

From: Joshua D. Moore (jdmoore_at_unity.ncsu.edu)
Date: Fri Dec 23 2005 - 02:53:00 CST

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All,

This is an error I have never seen before, and I haven't found any reports
on the mailing list. My .psf file is indeed large, > 13 MB. It seems
fine when I open it with vi. Is this a memory issue with the computer?

Below is the error I am seeing. Why is it trying to zip the file? Is
NAMD trying to zip the file?

Thanks.

Josh

Info: SUMMARY OF PARAMETERS:
Info: 13 BONDS
Info: 22 ANGLES
Info: 32 DIHEDRAL
Info: 0 IMPROPER
Info: 11 VDW
Info: 0 VDW_PAIRS
Command = zcat 2C4E1_125_45458.psf.gz.Z
Filename.Z = 2C4E1_125_45458.psf.gz.Z
Command = gzip -d -c 2C4E1_125_45458.psf.gz.gz
Filename.gz = 2C4E1_125_45458.psf.gz.gz
FATAL ERROR: UNABLE TO OPEN .psf FILE 2C4E1_125_45458.psf.gz
PC: 0xb18ca40 MPI_SGI_stacktraceback in /usr/lib64/libmpi.so
PC: 0xb1b5e30 PMPI_Abort in /usr/lib64/libmpi.so
PC: 0x105ef8c8 CmiAbort in /nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x100a4f2c NAMD_die(const char*) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x103683d4 Molecule::read_psf_file(char*,Parameters*) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x103650b8 Molecule::Molecule(SimParameters*,Parameters*,char*) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x10385588 NamdState::configListInit(ConfigList*) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x10401110 ScriptTcl::initcheck(void) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x10402170 ScriptTcl::Tcl_minimize(void*,Tcl_Interp*,int,char**) in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x1062d318 TclInvokeStringCommand in
/nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2
PC: 0x10679a6c EvalObjv in /nas/ncsu/moorejd/NAMD_2.6b1_Origin2000-MPI/namd2

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