It seems to be ok. You have:
PARALLEL version
* Running in serial mode with MPI
This message occurs when you run parallel version on a single
processors. As soon as you will use at least 2-processor node, the
message should shange to:
*Running on X nodes in parallel
Instead, on a serial SIESTA the beginning of the output is the following:
SERIAL version
* Running in serial mode
On 21/02/07, bipul rakshit <[EMAIL PROTECTED]> wrote:
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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Yurko Natanzon
PhD Student
Henryk Niewodniczański Institute of Nuclear Physics
Polish Academy of Sciences
ul. Radzikowskiego 152,
31-342 Kraków, Poland
Email: [EMAIL PROTECTED], [EMAIL PROTECTED]
