[molpro-user] help

Nick Wilson WilsonNT at Cardiff.ac.uk
Wed Jul 6 10:41:07 BST 2005

Dear Jyh-Shyong,

Jyh-Shyong Ho wrote:
> Input/Output Error 177: Permission denied
>   In Procedure: prepin
>        At Line: 662
>      Statement: OPEN
>           Unit: 61
>           File: T6100025863.TMP
> End of diagnostics
>  1: interrupt(1)
> WaitAll: No children or error in wait?

It looks as if you do not have permission to write to the directory 
molpro is using to store scratch files. You can see which directory 
molpro is trying to write to at the top of the output file like:

  Primary working directories:    /tmp/nickw
  Secondary working directories:  /tmp/nickw

This is set by the -d flag in bin/molpro.rc in a source directory or in 
the script /usr/local/bin/molpro (or equivalent) for the installed 
version. By default molpro will choose either $SCRATCH if it is set or 
if not then $TMPDIR if set or if not then /tmp/$LOGNAME

> Something is wrong in my environment settings,  pherpahs someone can help?
> In addition, what is the command to run the tcgmsg version of Molpro with
> more than one CPU?

Best wishes,
Nick Wilson

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