[Molpro-user] How I should run the new 2008.1 version

Attila Bende attlbende at gmail.com
Wed Oct 1 10:03:40 BST 2008


Dear Molpro users!

Can anyone help me, why I got the following message when I try to run
Molpro 200.1 version.
I simply installed the sh script and everything was fine, the program
found my token file. Wonderful
But when I try to run, I got this message:
_______
aragon07 > molpro -d /scratch -I /scratch -n 2 <PTZ-norm-3-SH_01a.com
tmp = /home/abende/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
 Creating: host=aragon07.itim-cj.ro, user=abende,
           file=/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe, port=55464
aragon07.itim-cj.ro: Connection refused
  2: interrupt(1)
aragon07 >
_________________

I also tried with mpiexec but the same error:
_____
/home/abende> mpiexec -n 2 /usr/local/bin/molpro -d /scratch -I
/scratch < PTZ-norm-3-SH_01a.com
aragon01.ls3119.itim-cj.ro: Connection refused
tmp = /home/abende/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
 Creating: host=ls3119.itim-cj.ro, user=abende,
           file=/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe, port=57000
  1: interrupt(1)
aragon01.ls3119.itim-cj.ro: Connection refused
  1: interrupt(1)
tmp = /home/abende/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
 Creating: host=ls3119.itim-cj.ro, user=abende,
           file=/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe, port=51631
/home/abende>
__________________________

I try to check the tmp link but I couldn't find any
molprop_2008_1_Linux_x86_64_i8.exe.p file, only the file without ".p"
is present.
I would appreciate if somebody could indicate what I'm wrong with the
program running

Many thanks
Attila

-- 
Dr. Bende Attila (PhD)
Senior Researcher III

***********************************************************************
National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.71-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 216, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
         http://www.researcherid.com/rid/A-6539-2008
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