The ABINIT Users Mailing List ( CLOSED )

[BOTTIN Francois <francois.bottin@cea.fr>]

Dear Tieyu, Matthieu and PMA,

The ScaLapack library is used in ABINIT for the sub-space 
diagonalization performed in subdiago.F90.
This feature is only available in the framework of the kpoint/band/FFT 
parallelization (paral_kgb=1).
For systems with a large number of bands, the computationnal cost of 
this diagonalization can be significantly reduced using ScaLapack.

As concerns the error, it's probably come from the build system. If I 
replace the new commands (5.6.x):
   enable_scalapack="yes"
   with_scalapack_libs="-L/usr/... -lscalapack"
by the previous ones:
   with_mpi_cppflags="-DHAVE_SCALAPACK"
   with_linalg_libs="-L/usr/... -lscalapack, and the others"
my compilation no more abort.

Regards
Francois

mailoliver@163.com a écrit :
> Dear all:
>
> I try to compile abinit-5.6.2 with enable_scalapack="yes".  I get the
> information:
> make[3]: Entering directory
> `/export/home/mchuang/lty/tool/abinit/abinit-5.6.2/src/01manage_mpi'
> /export/mpi/mpich-ifort9.0/bin/mpif90 -DHAVE_CONFIG_H -I. -I../..
> -I../../src/defs -I../../src/defs   -g -O2 -extend_source -vec-report0 -c -o
> scalapack.o scalapack.F90
> fortcom: Error: scalapack.F90, line 1080: This name does not have a type, and
> must have an explicit type.   [MPI_INTEGER]
>   CALL MPI_ALLREDUCE(TWORK_tmp,TWORK,3,MPI_INTEGER,MPI_MAX,communicateur,ierr)
> ---------------------------------------^
> fortcom: Error: scalapack.F90, line 1080: This name does not have a type, and
> must have an explicit type.   [MPI_MAX]
>   CALL MPI_ALLREDUCE(TWORK_tmp,TWORK,3,MPI_INTEGER,MPI_MAX,communicateur,ierr)
> ---------------------------------------------------^
> fortcom: Error: scalapack.F90, line 1173: This name does not have a type, and
> must have an explicit type.   [MPI_INTEGER]
>   CALL MPI_ALLREDUCE(TWORK_tmp,TWORK,3,MPI_INTEGER,MPI_MAX,communicateur,ierr)
> ---------------------------------------^
> fortcom: Error: scalapack.F90, line 1173: This name does not have a type, and
> must have an explicit type.   [MPI_MAX]
>   CALL MPI_ALLREDUCE(TWORK_tmp,TWORK,3,MPI_INTEGER,MPI_MAX,communicateur,ierr)
> ---------------------------------------------------^
> compilation aborted for scalapack.F90 (code 1)
> make[3]: *** [scalapack.o] Error 1
>
> This is a bug?
>
> Tieyu
>   


--
##############################################################
Francois Bottin                    tel: 01 69 26 41 73
CEA/DIF                            fax: 01 69 26 70 77
BP 12 Bruyeres-le-Chatel         email: Francois.Bottin@cea.fr
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