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

[迷阳]

Hi-Konstantin

Thank you for you help. I tied the commands you suggested, but it seems like
we still can not run it properly, I don't know if I did anything wrong when
setting it up. Did you meet this kind of problem before when setting up the
program?  And could you share some of your experience about this?

Attached at the end is the input and output I tried.

Thank you and I really appreciate it.
**************
wlu3 at ubuntu:~/Desktop/molpro$ molpro h2o.inp
molpro: command not found
wlu3 at ubuntu:~/Desktop/molpro$ molpro h2o.inp &
[1] 1876
wlu3 at ubuntu:~/Desktop/molpro$ molpro: command not found
./ molpro h2o.inp &
[2] 1878
[1]   Exit 127                molpro h2o.inp
bash: ./: is a directory
wlu3 at ubuntu:~/Desktop/molpro$ ./molpro h2o.inp
eval: 1: molpro/parallel: not found
[2]+  Exit 126                ./ molpro h2o.inp
**********************

On Fri, May 7, 2010 at 4:17 AM, Konstantin Tokarev <annulen at yandex.ru>wrote:

> 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
>
> Яндекс.Почта. Письма есть. Спама - нет. http://mail.yandex.ru/nospam/sign
>
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