[SOLVED] ABINIT 6.12.3 building problems on CentOS cluster

option, parallelism,...

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belhor
Posts: 2
Joined: Thu Apr 19, 2012 12:48 am

[SOLVED] ABINIT 6.12.3 building problems on CentOS cluster

Post by belhor » Thu Apr 19, 2012 1:02 am

Hi,

I've been trying to build ABINIT on a CentOS (5.4) cluster but until now I only received errors. So I hope that you can help me...

Currently I'm using ABINIT 6.12.3 package and for the configuration process I'm using this method:

Code: Select all

../configure --enable-mpi=yes FC=/opt/intel/Compiler/11.1/059/bin/intel64/ifort


* All seems to be fine at this point.

After that:

Code: Select all

make multi multi_nprocs=8


At this point after a couple of minutes received this error:

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/opt/intel/Compiler/11.1/059/bin/intel64/ifort -DHAVE_CONFIG_H -I. -I../../../src/01_interfaces_ext -I../.. -I../../src/incs -I../../../src/incs -I/root/abinit-6.12.3/build1_parallel/fallbacks/exports/include -I/root/abinit-6.12.3/build1_parallel/fallbacks/exports/include   -free -module /root/abinit-6.12.3/build1_parallel/src/mods -O2 -xHost -g -extend-source -vec-report0 -noaltparam -nofpscomp  -c -o m_iso_c_bindings.o ../../../src/01_interfaces_ext/m_iso_c_bindings.F90
config.h(634): #error:  "HAVE_MPI1 and HAVE_MPI2 are both undefined"

make[4]: *** [m_iso_c_bindings.o] Error 1
make[4]: Leaving directory `/root/abinit-6.12.3/build1_parallel/src/01_interfaces_ext'
make[3]: *** [all-recursive] Error 1
make[3]: Leaving directory `/root/abinit-6.12.3/build1_parallel/src'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/root/abinit-6.12.3/build1_parallel'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/root/abinit-6.12.3/build1_parallel'
make: *** [multi] Error 2


Any suggestions?

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pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
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Re: ABINIT 6.12.3 building problems on CentOS cluster

Post by pouillon » Thu Apr 19, 2012 10:15 am

You're trying to build MPI source code with a compiler that is not MPI-capable, hence the error. The recommended way to build a parallel version of Abinit is to leave CC, CXX and FC unset, while using the --with-mpi-prefix option.

Please look at ~abinit/doc/config/build-config.ac - as stated in the forum rules above - for details.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

belhor
Posts: 2
Joined: Thu Apr 19, 2012 12:48 am

Re: ABINIT 6.12.3 building problems on CentOS cluster

Post by belhor » Tue Apr 24, 2012 12:12 am

Hi Pouillon,

finally I have a working installation of ABINIT in the cluster, thanks for everything!

PS Also I have configured ~abinit/doc/config/build-config.ac file correctly.

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