[molpro-user] Problem with molpro script

[Andy May]

Angelo,

This is the shell scripts attempt to get some temporary working space.
Does your system actually contain a /tmp directory, and is it writable
to all users? If not the solution is either to set TMPDIR to point to an
acceptable location, or to manually change the script for the same
purpose, eg.:

hostfile="/path/to/some/writable/temporary/space/procgrp.$$"

Best wishes,

Andy

Angelo Rossi wrote:
> Hello everyone:
> 
> I just installed the binaries for molpro2008 and have run into problems
> with the script:
> 
> 1) executing molpro out of the box gives:
> 
> rossi at siduxbox:~$ molpro
> 
> tmp = /home/rossi/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
>   0: InitClusInfo: error parsing PROCGRP, line= 1 (0x1).
>   0: InitClusInfo: error parsing PROCGRP, line= 1 (0x1).
> system error message: No such file or directory
> 
> The line
> 
> hostfile="${TMPDIR:-/tmp}/procgrp.$$"
> 
> is the problem.
> 
> 
> 2) Modifying the hostfile variable to
> 
> hostfile="${TMPDIR:-'/tmp'}/procgrp.$$"
> 
> gives the following:
> 
> rossi at siduxbox:~$ molpro
> 
> /usr/local/bin/molpro: 150: cannot create '/tmp'/procgrp.10058:
> Directory nonexistent
> /usr/local/bin/molpro: 150: cannot create '/tmp'/procgrp.10058:
> Directory nonexistent
>  
> It's getting closer to what should be happening, but is still wrong.
> 
> I tried many variations, but I can't get the molpro script to run.
> 
> Can someone please help me?
> 
> Kind regards,
> 
> Angelo
> 
> 
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