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Dear Sven,<br>
<br>
On 29/11/11 09:26, Sve N wrote:
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Dear all,<br>
after compiling and tuning molpro, which both works, I encounter
following error, when testing:<br>
openc: Error in opening file /.../Molpro/bin/../lib/ABDATA<br>
<br>
This problem has been reported before, and seemingly is related
to the Intel MPI mpd daemon:<br>
<a class="moz-txt-link-freetext" href="http://answerpot.com/showthread.php?1226767-Issue%20With%20Molpro%202010.1%20%28patch%202%29:%20ABDATA%20Missing">http://answerpot.com/showthread.php?1226767-Issue%20With%20Molpro%202010.1%20%28patch%202%29:%20ABDATA%20Missing</a><br>
<br>
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:<br>
./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"<br>
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Could you please try a fresh build with:<br>
./configure -batch -gfortran -gcc -mpp -auto-ga-tcgmsg -blaspath
/path_of_acml4.4.0/gfortran64_int64/lib<br>
make<br>
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).
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As compiler I use gfortran (gcc-4.5), the molpro-version is 2010
patchlevel 24.<br>
Thanks for any help, Sven<br>
<br>
P.S.: On a sidenote, "make clean" doesn't work for me, it gives
this error:<br>
target clean only available with git cloned versions, please
unpack the tarball again<br>
is this intended?<br>
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Yes. "make clean" did work previously, but now the behaviour has
been changed.<br>
<br>
Best wishes,<br>
Manhui<br>
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