[molpro-user] {SPAM}? Re: Molpro 2010.1-23 on CentOS 6.0 does not work

[David Danovich]

Dear Andy,

I have run command molpro -v -n 2 h2-hf.com >& OUTPUT &

Only output file was created in the directory. So I attached this OUTPUT
file together with input file (I just changed extension from com to
txt-com). I also have compiled molpro-2010.1-23 using source code and it
works fine under CentOS6.0  I attached output file OUTPUT-work from this
calculation as well (may be it will help you to understand the problem).


Thank you  David

On Thu, Sep 8, 2011 at 1:35 PM, Andy May <MayAJ1 at cardiff.ac.uk> wrote:

> 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
>>
>>
>>
>> ______________________________**_________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/**listinfo/molpro-user<http://www.molpro.net/mailman/listinfo/molpro-user>
>>
>
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