hello sir thanks for the kind suggestion. But in the arch.make file i use -DMPI... but i dont know why that line * Running in serial mode with MPI is comming. here i send you a the arch.make file that i use... plz have a look and suggest me what to do.... bipul
Oleksandr Voznyy <[EMAIL PROTECTED]> wrote:
I'm not sure what exactly the problem is,
the only energy value that has changed is
siesta: Ena = 203.897261
but you don't run parallel version!!
You have:
* Running in serial mode with MPI
you need to include -DMPI in preprocessor flags to compile a parallel
version:
FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DGRID_DP
Try to recompile and I think the problem will disappear.
Also, your BlockSize value 24 is way too high.
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arch.make
Description: 494391946-arch.make
