[Wien] compilation of WIEN2k_06.2

[stargmoon]

   Dear WIEN2k community, 
  
  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,
  
  current:FOPT:-tp=k8-64 -Mcache_align -Mfreeform -fast -Kieee
 current:FPOPT:-tp=k8-64 -Mcache_align -Mfreeform -fast -Kieee
 current:LDFLAGS:-L/opt/pgi/linux86-64/6.1/lib -L../SRC_lib
 current:DPARALLEL:'-DParallel'
 current:R_LIBS:-lacml -llapack -lblas
 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
 current:MPIRUN:
 
  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.
  Could you please tell what is the matter?
  
  Best regards,
  
  Stargmoon


		
---------------------------------
Talk is cheap. Use Yahoo! Messenger to make PC-to-Phone calls.  Great rates starting at 1¢/min.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20060417/8fd72ed7/attachment-0001.html