Hi ,
Just want to confirm with you that
FPPFLAGS += -DMPI
MPI_INTERFACE=libmpi_f90.a
MPI_INCLUDE=${MPIROOT}/include
These above three things needs to be added to be able to start to compile MPI
folder,
but I am getting error
mpif90 -c -O2 -I/usr/local/pacerepov1//mvapich2/2.1/gcc-4.9.0/include -DMPI
-DFC_HAVE_FLUSH -DFC_HAVE_ABORT
/usr/local/build/Cherry/siesta-3.2-pl-5/Src/MPI/mpi.F
/usr/local/build/Cherry/siesta-3.2-pl-5/Src/MPI/mpi.F:54: Error: Can't open
included file 'V_S.uses'
make[1]: *** [mpi.o] Error 1
Looks like there is no file named V_S.uses under MPI folder.
Do I miss any thing?
---------
Fang (Cherry) Liu, Ph.D. ([email protected])
Research Scientist II
Partnership for an Advanced Computing Environment
Georgia Institute of Technology
258 Fourth Street, Rich Building, Room 327
Atlanta, GA 30332-0700
Office: (404) 385-0045
________________________________
From: [email protected] <[email protected]> on behalf of Nick
Papior <[email protected]>
Sent: Friday, August 21, 2015 12:33 PM
To: [email protected]
Subject: Re: [SIESTA-L] Parallel Siesta
Yes, every available version from the website supports parallel compilation.
To successfully compile with MPI you need to do this to your arch.make file:
FPPFLAGS += -DMPI
MPI_INTERFACE=libmpi_f90.a
As always, remember to start all over to ensure everything is from scratch.
2015-08-21 16:08 GMT+00:00 Liu, Fang
<[email protected]<mailto:[email protected]>>:
Dear Sir,
I am trying to install siesta-3.2 on our local cluster, and when I put -DMPI in
compilation,
I am getting error
/usr/local/build/Cherry/siesta-3.2-pl-5_orig_MoreDecimals/Src/sys.F(81): error
#7002: Error in opening the compiled module file. Check INCLUDE paths.
[MPI_SIESTA]
use mpi_siesta
and search on the source code, I don't see a module defined as mpi_siesta, I
download the code
from http://departments.icmab.es/leem/siesta/CodeAccess/Code/downloads.html
Could you let me know if Siesta 3.2 actually supports parallel version?
---------
Fang (Cherry) Liu, Ph.D.
([email protected]<mailto:[email protected]>)
Research Scientist II
Partnership for an Advanced Computing Environment
Georgia Institute of Technology
258 Fourth Street, Rich Building, Room 327
Atlanta, GA 30332-0700
Office: (404) 385-0045<tel:%28404%29%20385-0045>
--
Kind regards Nick
