[molpro-user] Molpro 2010.1-23 on CentOS 6.0 does not work

Andy May MayAJ1 at cardiff.ac.uk
Thu Sep 8 11:35:14 BST 2011


David,

Please could you create a new directory, copy in the input file and then 
run again with -v option, i.e.:

molpro -v -n 4 h2-hf.com

and then send the full output along with any files in the directory, 
including the input file.

Best wishes,

Andy

On 07/09/11 14:44, David Danovich wrote:
> Hello,
> I have installed molpro-mpp-2010.1-23.Linux_x86_64 on CentOS6.0 (from
> binary file) and got following error message (command:    molpro -n 4
> h2-hf.com <http://h2-hf.com> )
>
> tmp =
> /home/dodik/pdir//home/dodik/PROGRAMS/molpro-2010-1-23/molprop_2010_1_Linux_x86_64_i8.exe.p
>   Creating: host=lewis.ch.huji.ac.il <http://lewis.ch.huji.ac.il>,
> user=dodik,
>
> file=/home/dodik/PROGRAMS/molpro-2010-1-23/molprop_2010_1_Linux_x86_64_i8.exe,
> port=45855
> forrtl: severe (71): integer divide by zero
> Image              PC                Routine            Line        Source
> Unknown            00002AB8957BDD63  Unknown               Unknown  Unknown
> Unknown            00002AB8957ABE3D  Unknown               Unknown  Unknown
> Unknown            00002AB89553BBA3  Unknown               Unknown  Unknown
> molprop_2010_1_Li  00000000035EE0DD  Unknown               Unknown  Unknown
> molprop_2010_1_Li  00000000035EDF16  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000003230629  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000003231044  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000322CE76  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000322DB1B  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000184887B  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000001845B62  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000402C0F  Unknown               Unknown  Unknown
> molprop_2010_1_Li  0000000000400535  Unknown               Unknown  Unknown
> molprop_2010_1_Li  00000000004004DC  Unknown               Unknown  Unknown
> molprop_2010_1_Li  000000000359EB99  Unknown               Unknown  Unknown
> molprop_2010_1_Li  00000000004003A9  Unknown               Unknown  Unknown
>    4: interrupt(1)
>
> [1]    Done                          molpro -n 4 h2-hf.com
> <http://h2-hf.com>
>
> when I try to run a simple input which works fine on CentOS5.6. The
> program actually does not start  because the same error I got when I
> used just command
> molpro &
> May be somebody already found the solution for this problem.
> Thank you  David
>
>
>
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