​Both calculations converged to -cc 0.0001 before 40 cycles, but the case with
previous .clm converged rapidly. Actually i test these two calculation to be
sure that the results are same or not. As i know in volume optimization also
the old .clm use for next volume by clmextrapol_lapw
You need to narrow down the cause of the segmentation fault (core
dumped) error. Perhaps, in a compile.msg file, it shows what program
caused the segmenation fault (ifort, gcc or icc)?
If you check siteconfig's recommendation, -lpthread in LDFLAGS should be
changed to -pthread.
As you can
Dear Gavin and wien2k users,
Sorry for the late reply to the above mail...we are trying
to resolve the issues regarding the installation failure and were able to
remove most of the errors after installing MSSP, as Gavin has suggested.
However, we are still getting an error
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