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

[Konstantin Tokarev]

06.05.10, 20:43, "迷阳" <noway56 at gmail.com>: 
> 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
>  *************

 (current directory) is not in $PATH by default. Try to run ./molpro instead of molpro

-- 
Regards,
Konstantin

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