[molpro-user] Running molpro2008.1 in parallel doesn't work

Benj FitzPatrick benjfitz at uchicago.edu
Sat Mar 28 16:37:52 GMT 2009

I use the pathscale compiler, goto blas, and lapack 3.2.  The commands I used
for GA and molpro are below and I attached my molpro CONFIG file.  I built this
on gentoo for amd64 with gcc-4.2.4 and patchlevel 31.
I hope this helps,

gmake TARGET=LINUX64 FC=pathf90 BLAS_I8=yes NATIVE_BLAS=no \
BLAS_LIB=/ab/libs/libgoto1.26_path_4.a LARGE_FILES=yes>./make.log

 ./configure -batch -pathf90 -mpp -mppbase
/ab/ga/ga4.1.1-large-i8_path_goto1.26_4 -instroot /cluster/molprop-2008.1_10_4
-var "INSTHTML=/cluster/molprop-2008.1_10_
4/html" -var "BLASLIB=-L/ab/libs -lgoto1.26_path_4"  -var "LAPACKLIB=-L/ab/libs

---- Original message ----
>Date: Fri, 27 Mar 2009 18:12:13 +0300 (MSK)
>From: "Vitaliy V. Koval" <smit at ipoc.rsu.ru>  
>Subject: [molpro-user] Running molpro2008.1 in parallel doesn't work  
>To: molpro-user at molpro.net
>Hello, molpro users,
>Can anyone provide parameters of the successful installation for GA-4-1-1 
>and molpro2008.1 under SLES10 (or any others), please?
>On our cluster compilation has been completed, but 'make tuning', 'make 
>testing' etc are sleeping and never end. (GA testing have been 
>successfully completed.)
>With best wishes,
>Vitaliy Koval.
>Molpro-user mailing list
>Molpro-user at molpro.net
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