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

Peter Ruprecht peter.ruprecht at jila.colorado.edu
Wed Dec 21 20:01:04 GMT 2011


This bug has recently been fixed in RedHat Enterprise 6.2 with package 
glibc-2.12-1.47.el6.  Presumably this update will make it downstream to 
CentOS6 at some point.

  -Peter Ruprecht
   JILA / University of Colorado

Andy May wrote:
> David,
> 
> I have finally found the problem. This appears to be a bug in glibc 
> which ships with CentOS6.0. The bug means that some static binaries can 
> not be used on the OS.
> 
> The bug was also present in Fedora Core 12 and 13:
> 
> https://bugzilla.redhat.com/show_bug.cgi?id=597578
> 
> where Fedora decided not to patch the bug, but instead waited to Fedora 
> Core 14. It appears CentOS is not fast to update packages, and CentOS 
> 5.6 contained a version of glibc before the bug was introduced, but 
> version 6.0 contains the bug. It seems odd to me that CentOS would ship 
> a new release with a version of glibc containing a known bug that has 
> been fixed in the parent distribution for some time, but this is the 
> situation I'm afraid. There is no solution for the binaries, but your 
> source code build will be more optimal in any case.
> 
> Best wishes,
> 
> Andy
> 
> On 08/09/11 13:53, David Danovich wrote:
>> Dear Andy,
>> It does not help.  I put it into .cshrc file (setenv TMPDIR /tmp). I put
>> export TMPDIR=/tmp into molpro file. Nothing help.
>> David
>> On Thu, Sep 8, 2011 at 3:40 PM, Andy May <MayAJ1 at cardiff.ac.uk
>> <mailto:MayAJ1 at cardiff.ac.uk>> wrote:
>>
>>     David,
>>
>>     I think I see the problem, you have not set the value of environment
>>     variable TMPDIR. Although Molpro itself will select an appropriate
>>     location if the variable is not set, the parallel.x launcher from
>>     Global Arrays requires this to be set (Presumably openmpi launcher
>>     does not require this, hence why your source code install worked).
>>     Please set the variable, eg:
>>
>>     export TMPDIR=/tmp
>>
>>     and then try.
>>
>>     Best wishes,
>>
>>     Andy
>>
>>
>>     On 08/09/11 13:15, David Danovich wrote:
>>
>>         Dear Andy,
>>         I have run command molpro -v -n 2 h2-hf.com <http://h2-hf.com>
>>         <http://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
>>         <mailto:MayAJ1 at cardiff.ac.uk>
>>         <mailto:MayAJ1 at cardiff.ac.uk <mailto: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 <http://h2-hf.com> 
>> <http://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> <http://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>
>>         <http://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>
>>         <http://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 <mailto:Molpro-user at molpro.net>
>>         <mailto:Molpro-user at molpro.net <mailto:Molpro-user at molpro.net>__>
>>
>>         http://www.molpro.net/mailman/____listinfo/molpro-user
>>         <http://www.molpro.net/mailman/__listinfo/molpro-user>
>>         <http://www.molpro.net/__mailman/listinfo/molpro-user
>>         <http://www.molpro.net/mailman/listinfo/molpro-user>>
>>
>>
>>
>>
>> -- 
>> ____________________________________________________________________________ 
>>
>> Dr. David Danovich,  The Lise Meitner Minerva Center for Computational
>> Quantum Chemistry,
>> Institute of Chemistry, The Hebrew University, Edmond J. Safra Campus -
>> Givat Ram,
>> 91904 Jerusalem, Israel http://yfaat.ch.huji.ac.il/david.html,
>> david.danovich at huji.ac.il <mailto:david.danovich at huji.ac.il>
>> FAX:(+972)-2-6584033, Phone:(+972)-2-6586934(w),  
>> Mobile:(+972)-544-768669
>>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user




More information about the Molpro-user mailing list