Parallel molprop_2002_6 from binaries does not work

Nick Wilson N.Wilson at
Thu Sep 11 11:28:42 BST 2003


When running the molpro executables directly you need to ensure that the 
configuration options normally set up through the molpro.rc file when 
running the molpro front end are accounted for. The licence key problem 
you are seeing can probably be fixed by doing:
export MOLPRO_KEY="some_molpro_key"
setenv MOLPRO_KEY "some_molpro_key"

If that doesn't work and
molpro -n 2 ch2o_3.inp
also fails with the same error then check that your licence key hasn't 
become corrupted.

Best wishes,

MOLPRO wrote:
> I have installed the molprop_2002_6 mpp 8 binaries.  Running the serial 
> executable (molpro) has been done with no problems.
> Global Arrays installs with no error and the test.x program works without 
> error.
> However, running the molprop_2002_6_p4_tcgmsg.exe executable (taken from the 
> folder /usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6 and renamed to 
> tcgmsg.exe) results in the following:
> [root at master test_molpro]# ./parallel tcgmsg.exe ch2o_3.inp &
> [1] 3947
> [root at master test_molpro]#  Creating: host=master, user=root,
>            file=/root/test_molpro/tcgmsg.exe, port=34128
>  MPP nodes  nproc
>  master.bw01.kres    2
>  ga_uses_ma=false, calling ma_init with nominal heap. Any -G option will be 
> ignored.
> !LICENCE! Password missing on licence token
> !LICENCE! Password missing on licence token
>   2: interrupt(1)
> WaitAll: No children or error in wait?
> my PROCGRP file (tcgmsg.exe.p) looks like:
> root master 2 /root/test_molpro/tcgmsg.exe /root/test_molpro
> Any suggestions on what I am doing wrong?
> Thanks.
> Jim

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