[molpro-user] about setting up the molpro program in ubuntu linux sys

迷阳 noway56 at gmail.com
Thu May 6 17:43:32 BST 2010


I was trying to setup a free trial of molpro on our own computer before we
decided to buy one for our group. But after the installation, when I tested
it with a simple h2o calcultion, it shows: 'molpro: command not found'.
Could you tell me what I should do to get through this problem?

The procedure I tried to set up the program is
getinfo.sh  molpro  molpro-mpp-2009.1-20.Linux_x86_64.sh
wlu3 at ubuntu:~/Desktop$ bash molpro-
bash: molpro-: No such file or directory
wlu3 at ubuntu:~/Desktop$ bash molpro-mpp-2009.1-20.Linux_x86_64.sh

Enter installation directory for executable files [/usr/local/bin]

Enter installation directory for library files

Installation of Molpro files complete

Please give your username for accessing molpro

Please give your password for accessing molpro

Token sucessfully downloaded and installed


when I tested it
wlu3 at ubuntu:~/Desktop/molpro$ molpro h2o.inp
molpro: command not found
wlu3 at ubuntu:~/Desktop/molpro$ molpro h2o.inp &
[1] 4561
wlu3 at ubuntu:~/Desktop/molpro$ molpro: command not found
molpro h2o.inp&
[2] 4563
[1]   Exit 127                molpro h2o.inp
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