[molpro-user] openc: Error in opening file ... molpro2010.1/bin/../lib/ABDATA

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Wed Mar 30 16:50:16 BST 2011


Many thanks for your response. It helped when I recompiled
the library data on a *working node*. After that the ABDATA
file had appeared. Well I don't know whether it is related
to mpd daemon, but It would be interesting to find it out.
Do you know how to check that the daemon is running.
Otherwise it is fine. Thanks!


Andy May wrote:
> Evgeniy,
> Can you check it is not this problem:
> http://www.molpro.net/pipermail/molpro-user/2010-September/003886.html
> Best wishes,
> Andy
> On 30/03/11 15:25, Evgeniy Gromov wrote:
>> Dear Molpro Community,
>> I am stumped to get over the problem with the missing ABDATA file
>> which should be in the molpro lib directory. The compilation
>> (of molpro2010.1) went OK and I managed even to make tuning.
>> But that's it. When I start any job I get immediately the error:
>> openc: Error in opening file ... molpro2010.1/bin/../lib/ABDATA
>> Any idea how to fix it?
>> Details of the compilation:
>> No GA,
>> OpenMPI (openmpi-1.3.3)
>> gcc-4.4.1
>> noblas/nolapack
>> Best,
>> Evgeniy

Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de

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