://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080409/1a159eef/attachment.html
Youre R_LIB Options seem to be incomplete
and why do you use -lmkl_lapack64 ?
if you did not set ldconfig -because you like to work with different versions
of the libraries- then you always have to give the complete -L option with the
libraries.
Did you set all environment variables like
Hi
You have to run the proper mklvars*.sh or mklvars*.csh file depending on
your shell (whether bash or csh/tcsh) at the login time (put it in the
.bashrc or .tcshrc).
Regards
Sharat Chandra
Certainly the message:
mini.error (stop in mini forces small)
is NOT an error, but leads to a stop because the optimization has finished
properly.
The
lapw1.error (Cholesky INFO = 2198 'SECLR4' - POTRF (scalarpack/lapack) failed)
is a real error. Often it comes because your structure is wrong
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080409/d09724f7/attachment.html
Dear Wien2k team,
I have compiled wien2k using pgf90 (6.1) and acml and there is no
problem with the TiC example. But when I try to calculate my realistic
system, it stops with segmentation fault in lapw0. Debugging the
resulted core shows the last call is sphbes. Then I compiled lapw0 again
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