Dear WIEN2k community, <br> <br> I tried to compile the latest updated WIEN2k_06.2 with the same option as I did for WIEN2k_05.5 on the same machine (AMD opteron, dual CPU, compiler pgf90, pgcc, mathematic lib is libacml), the following is my option,<br> <br> <a target="_blank" href="http://us.rd.yahoo.com/mail_us/taglines/postman7/*http://us.rd.yahoo.com/evt=39666/*http://beta.messenger.yahoo.com">current:FOPT:-tp=k8-64 -Mcache_align -Mfreeform -fast -Kieee<br> current:FPOPT:-tp=k8-64 -Mcache_align -Mfreeform -fast -Kieee<br> current:LDFLAGS:-L/opt/pgi/linux86-64/6.1/lib -L../SRC_lib<br> current:DPARALLEL:'-DParallel'<br> current:R_LIBS:-lacml -llapack -lblas<br> current:RP_LIBS:-L /opt/acml2.5.0/pgi64/lib -lscalapack -lblacsF77init -lblacs -lblacsF77init -lblacsCinit -L/opt/pgi/linux86-64/6.1/lib -lacml -L/opt/mpi/tcp/mpich-pgi-1.2.7/lib -lmpich<br> current:MPIRUN:<br> </a><br> The compilation itself has no problem, when I try to run a test on hexagonal TiS2, the
WIEN2k_06.2 met problem in lapw2, which is big QTL-B value problem, however, there is no problem with WIEN2k_05.5 at all.<br> Could you please tell what is the matter?<br> <br> Best regards,<br> <br> Stargmoon<br><br><p>
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