Hello, I¹m trying to compile Siesta 2.0.1 for parallel processing using MPI. My system is an AMD Opteron cluster with InfiniPath interconnects. The compiler is the PathScale compiler and I¹m using the ACML 3.0.0 libraries. The BLACS and scalapack libraries are installed and tested.
When I try to compile Siesta I¹m given errors about redeclared attributes. (See below) I have also attached my arch.make file. This problem is identical to that posted June2007 by Eb Na ( http://www.mail-archive.com/siesta-l@listserv.uam.es/msg00844.html). Unfortunately there was never a response or follow-up to post the solution. I¹ve tried making changes to the mpi.F and other source files in an attempt to understand the origin of this problem, but have been unsuccessful. Any help or suggestions would be very welcome. Thank you for your time with this problem. Sincerely, Scott Beckman Assistant Professor Department of Material Science and Engineering Iowa State University sbeck...@iastate.edu +++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++ OUTPUT FROM COMPILE +++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++ hpc4~/Software/SIESTA/siesta-2.0.1/Src> hpc4~/Software/SIESTA/siesta-2.0.1/Src> make Compilation architecture to be used: pathf90-2.0-mpi If this is not what you want, create the right arch.make file using the models in Sys Hit ^C to abort... ==> Incorporating information about present compilation (compiler and flags) make[1]: Entering directory `/home/sbeckman/Software/SIESTA/siesta-2.0.1/Src' f90 -c -DMPI -I/usr/include -L/usr/lib compinfo.F90 make[1]: Leaving directory `/home/sbeckman/Software/SIESTA/siesta-2.0.1/Src' #...@rm -f compinfo.F90 make[1]: Entering directory `/home/sbeckman/Software/SIESTA/siesta-2.0.1/Src/MPI' f90 -c -I/usr/include -DMPI -I/usr/include -L/usr/lib mpi.F MODULE MPI_SIESTA ^ pathf95-855 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 1, Column = 14 The compiler has detected errors in module "MPI_SIESTA". No module information file will be created for this module. & DAT_single => MPI_real, & ^ pathf95-197 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 36, Column = 7 Unexpected syntax: "ONLY or use-name" was expected but found " ". integer, parameter :: MPI_real = DAT_single ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 71, Column = 31 "MPI_REAL" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 71, Column = 55 "DAT_SINGLE" is used in a constant expression, therefore it must be a constant. integer, parameter :: MPI_2real = DAT_2single ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 72, Column = 31 "MPI_2REAL" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 72, Column = 55 "DAT_2SINGLE" is used in a constant expression, therefore it must be a constant. integer, parameter :: MPI_double_precision = DAT_double ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 73, Column = 31 "MPI_DOUBLE_PRECISION" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 73, Column = 55 "DAT_DOUBLE" is used in a constant expression, therefore it must be a constant. integer, parameter :: MPI_2double_precision = DAT_2double ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 74, Column = 31 "MPI_2DOUBLE_PRECISION" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 74, Column = 55 "DAT_2DOUBLE" is used in a constant expression, therefore it must be a constant. integer, parameter :: MPI_complex = DAT_complex ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 75, Column = 31 "MPI_COMPLEX" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 75, Column = 55 "DAT_COMPLEX" is used in a constant expression, therefore it must be a constant. integer, parameter :: MPI_double_complex = DAT_dcomplex ^ pathf95-922 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 76, Column = 31 "MPI_DOUBLE_COMPLEX" has been use associated, therefore it must not be redeclared with the INTEGER(KIND=4) attribute. ^ pathf95-868 f90: ERROR MPI_SIESTA, File = mpi.F, Line = 76, Column = 55 "DAT_DCOMPLEX" is used in a constant expression, therefore it must be a constant. pathf95: PathScale(TM) Fortran Version 2.4 (f14) Wed Jul 1, 2009 09:04:05 pathf95: 815 source lines pathf95: 14 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s) pathf95: "explain pathf95-message number" gives more information about each message make[1]: *** [mpi.o] Error 2 make[1]: Leaving directory `/home/sbeckman/Software/SIESTA/siesta-2.0.1/Src/MPI' make: *** [libmpi_f90.a] Error 2 hpc4~/Software/SIESTA/siesta-2.0.1/Src> +++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++ MY arch.make FILE +++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++ hpc4~/Software/SIESTA/siesta-2.0.1/Src> more arch.make # # This file is part of the SIESTA package. # # Copyright (c) Fundacion General Universidad Autonoma de Madrid: # E.Artacho, J.Gale, A.Garcia, J.Junquera, P.Ordejon, D.Sanchez-Portal # and J.M.Soler, 1996-2006. # # Use of this software constitutes agreement with the full conditions # given in the SIESTA license, as signed by all legitimate users. # SIESTA_ARCH=pathf90-2.0-mpi # # For an opteron cluster with Pathscale compiler at UniCan -- parallel # #FC=/usr/bin/mpif90 FC=f90 FC_ASIS=$(FC) # #FFLAGS= -m64 -ipa -Ofast -Wl,-R/opt/pathscale3.2/lib/3.2/ FFLAGS= #FFLAGS_DEBUG= -g FFLAGS_DEBUG= #LDFLAGS= -m64 -ipa -Ofast -lmpich LDFLAGS= -lmpich RANLIB=ranlib COMP_LIBS= # NETCDF_LIBS= # /usr/local/netcdf-3.5/lib/pgi/libnetcdf.a NETCDF_INTERFACE= # libnetcdf_f90.a DEFS_CDF= # -DCDF # KINDS=4 8 #KINDS=8 #SP_KIND=4 #DP_KIND=8 MPI_INTERFACE=libmpi_f90.a #MPI_INCLUDE=/opt/mpich.gcc/include MPI_INCLUDE=/usr/include #MPI_INCLUDE= MPI_LIBS=/usr/lib #MPI_LIBS= DEFS_MPI=-DMPI -I/usr/include -L/usr/lib # LIBS=/work/TG3/LIBS/scalapack-1.8.0/libscalapack.a /work/TG3/LIBS/BLACS/LIB/blacsF77init_MPI-LINUX-0.a /work/TG3/LIBS/BLACS/LIB/blacs_MPI-LINUX-0.a /work/TG3/LIBS/ BLACS/LIB/blacsCinit_MPI-LINUX-0.a /opt/acml3.0.0/pathscale64/lib/libacml.a SYS=nag DEFS= $(DEFS_CDF) $(DEFS_MPI) # -DGRID_DP # .F.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $< .f.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $< .F90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $(DEFS) $< .f90.o: $(FC) -c $(FFLAGS) $(INCFLAGS) $< hpc4~/Software/SIESTA/siesta-2.0.1/Src> +++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++
