[Wien] Compiling with pessl

Chiung-Yuan Lin cylin at buphy.bu.edu
Wed Mar 17 23:21:17 CET 2004


Dear all,
  I am planning to run Wien2k in parallel mode on IBM p690.
MPI and PBlas libraries are available on our machine, while
ScaLapack is not. Instead, we have pessl library provided by IBM.
My question is: can I use pessl instead of ScaLapack to compile?
I think pessl should give better performance than ScaLapack on our
machine but am not sure if pessl is compatible with Wien2k.
  If pessl can be used, how do I change the following recommended
compile settings

RP  RP_LIB(SCALAPACK+PBLAS): -L /usr/local/SCALAPACK -L
/usr/local/BLACS/LIB -lpblas -lredist -ltools -lscalapack -lfblacs
-lblacs -lmpi
MP  MPIRUN commando        : poe _EXEC_ -shared_memory yes -procs _NP_
-hfile _HOSTS_


Also, we have successfully compiled and run Wien2k in the
single-processor mode using the option -O5 -qarch=pwr4.
So I guess I should use the same option for parallel compilation,
i.e.,

FP  FPOPT(par.comp.options): -O5 -qarch=pwr4

Is this right?


Thank you




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