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

T.M.D. Graen tgraen at gwdg.de
Mon Apr 4 16:32:45 BST 2011

I used the '--with-tcgmsg' configure option in GA5.0.2, worked just fine with molpro. It would be great if this part of the manual was updated, also the Intel ICC bug fix '-std=c++0x' might be useful information.

On 04/04/2011 02:30 PM, Evgeniy Gromov wrote:
> 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

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