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

Manhui Wang wangm9 at cardiff.ac.uk
Tue Nov 29 12:28:03 GMT 2011

Dear  Sven,

On 29/11/11 09:26, Sve N wrote:
> 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"
Could you please try a fresh build with:
./configure -batch -gfortran -gcc -mpp -auto-ga-tcgmsg  -blaspath  
This allows Molpro configure to pick up the right settings automatically 
if possible. In addition, please use non OpenMP version of 
ACML(gfortran64_int64, not gfortran64_mp_int64).
> 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?
Yes. "make clean" did work previously, but now the behaviour has been 

Best wishes,
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> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user
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