[molpro-user] Problem in compilation of molpro2010 with GA

Evgeniy Gromov Evgeniy.Gromov at pci.uni-heidelberg.de
Mon Apr 4 13:30:27 BST 2011


Dear Molpro Community,

I am trying to compile molpro2010.1 with GA, the latest version
ga-5.0.2. During the molpro compilationI get the error:

make[3]: Entering directory 
`/bwfs/scratch/temphomes/hd/f81/prog/molpro2010.1/src/mpp'
compiling ppidd_c.c
failed
ppidd_c.c(48): catastrophic error: could not open source file "tcgmsg.h"
         #include <tcgmsg.h>


Either molpro needs this tcgmsg.h in any case and then I should
recompile GA with MPI+tcgmsg (by default GA is compiled only with
MPI) or there is an option (which I don't know) for molpro
configure to switch tcgmsg off and use only MPI. The question is
what of the above variants the right one. Could somebody help, please.
Thanks!

Best regards,
Evgeniy


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

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






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