[molpro-user] Problem with molpro script

[Angelo Rossi]

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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