[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


Hi-

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]
molpro

Enter installation directory for library files
[/usr/local/lib/molprop_2009_1_Linux_x86_64_i8]
molpro

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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