[molpro-user] compilation of molpro2010: missing ABDATA after linking

Sve N goretoffel at hotmail.de
Tue Nov 29 09:26:08 GMT 2011


Dear all,
after compiling and tuning molpro, which both works, I encounter following error, when testing:
openc: Error in opening file /.../Molpro/bin/../lib/ABDATA

This problem has been reported before, and seemingly is related to the Intel MPI mpd daemon:
http://answerpot.com/showthread.php?1226767-Issue%20With%20Molpro%202010.1%20%28patch%202%29:%20ABDATA%20Missing

But I don't want to use MPI in first place, and I at least think, I'm not doing so. My configure options are:
./configure -auto-ga-tcgmsg -blas -i8 -lapack -Linux -mpp -x86_64 -var "BLASLIB=-L/.../acml4.4.0/gfortran64_mp_int64/lib -lacml_mp -lacml_mv" -var "LAPACKLIB=-L/.../acml4.4.0/gfortran64_mp_int64/lib -lacml_mp -lacml_mv"

As compiler I use gfortran (gcc-4.5), the molpro-version is 2010 patchlevel 24.
Thanks for any help, Sven

P.S.: On a sidenote, "make clean" doesn't work for me, it gives this error:
target clean only available with git cloned versions, please unpack the tarball again
is this intended?
 		 	   		  
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