[molpro-user] issue with Molpro 2010.1 (patch 2): ABDATA missing

[Manhui Wang]

Hi,

Reuti wrote:
> Am 22.09.2010 um 10:21 schrieb Manhui Wang:
> 
>> Dear Stefan,
>>
>> The possible reason is that your Intel MPI mpd daemon
> 
> As MPICH2 will move to Hydra (i.e. w/o any permanent daemons) as default startup (incl. tight integration into certain queuing systems) and remove former startup methods in the future, Intel MPI will most likely do the same. It was recently on the MPICH2 list, that any compilation for mpd startup can also use the Hydra startup right now (the one from the latest MPICH2 release). As I don't have Intel MPI, I can't test though.
> 
I have looked at the Intel MPI 4.0. mpiexec.hydra now has been included
in the library. First test shows it works fine. However, it is still
experimental, and they will improve it in next release. See the discussion

http://software.intel.com/en-us/forums/showthread.php?t=76537

When hydra of Intel MPI is mature in the future, we will switch to it
since the current mpd system is very inconvenient.


Manhui

> -- Reuti
> 
> 
>> happened not to
>> run in the background when you built the library data.
>> You can fix it by rebuilding the library data (not compiling the whole
>> code):
>>
>> make -C lib veryclean
>> make
>>
>> But ensure your mpd is running in the background before doing this.
>>
>>
>> Best wishes,
>> Manhui
>>
>>
>> Stefan Becuwe wrote:
>>> Hello,
>>>
>>> I compiled/installed Molpro 2010.1 in the same way as 2009.1: GA 4.3.2, 
>>> TCGMSG-MPI, Intel compilers and Intel MPI.  Running the tests as follows
>>>
>>>   make MOLPRO_OPTIONS=-n8 test
>>>
>>> results in
>>>
>>> openc: Error in opening file [...]/molpro2010.1/testjobs/../lib/ABDATA
>>>
>>>  GLOBAL ERROR fehler on processor   0
>>> make[1]: *** Deleting file `Cs_DKH10.out'
>>> make: *** [test] Interrupt
>>>
>>> It seems ABDATA is missing (is present in 2009.1).  Any idea how to fix 
>>> this problem?  Thanks in advance!
>>>
>>> Regards,
>>>
>>>
>>> Stefan
>>>
>>>
>>> _______________________________________________
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>>> Molpro-user at molpro.net
>>> http://www.molpro.net/mailman/listinfo/molpro-user
>> -- 
>> -----------
>> Manhui  Wang
>> School of Chemistry, Cardiff University,
>> Main Building, Park Place,
>> Cardiff CF10 3AT, UK
>> Telephone: +44 (0)29208 76637
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
> 

-- 
-----------
Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637