Dear All, I may add the version that I try. The versions of siesta are: 2.0.2 and 3.0-b which i used before, and they are OK, but right now they did.
Thank you very much! SZ 2010/6/8 shizheng wen <chsz...@gmail.com>: > Dear All, > First of all, Thank you very much for looking through the mail. > Few days ago, there was something wrong with the server PC. > We just reinstall the system, and so the compiler and lib and siesta. > The compiling of the SIESTA seams OK. > But the when I run the program, it gives the following error: > " > Fatal error in MPI_Comm_size: Invalid communicator, error stack: > MPI_Comm_size(112): MPI_Comm_size(comm=0x5b, size=0x13c46e8) failed > MPI_Comm_size(70).: Invalid communicator[cli_0]: aborting job: > Fatal error in MPI_Comm_size: Invalid communicator, error stack: > MPI_Comm_size(112): MPI_Comm_size(comm=0x5b, size=0x13c46e8) failed > MPI_Comm_size(70).: Invalid communicator > Fatal error in MPI_Comm_size: Invalid communicator, error stack: > MPI_Comm_size(112): MPI_Comm_size(comm=0x5b, size=0x13c46e8) failed > MPI_Comm_size(70).: Invalid communicator[cli_1]: aborting job: > Fatal error in MPI_Comm_size: Invalid communicator, error stack: > MPI_Comm_size(112): MPI_Comm_size(comm=0x5b, size=0x13c46e8) failed > MPI_Comm_size(70).: Invalid communicator > > " > > in the output file > * Maximum dynamic memory allocated = 67 MB > rank 1 in job 15 pc2_52577 caused collective abort of all ranks > exit status of rank 1: return code 1 > rank 0 in job 15 pc2_52577 caused collective abort of all ranks > exit status of rank 0: return code 1 > > > I had never encountered this before. Just a little strange, I install > the system and ifort and mkl all the same as before, but it just > cannot run any more. > I had went through the mailing-list, also set the > > ulimit -s unlimited > > in the bash. > > Anyone could give me some suggestion please, thank you very much in advance! > > Best regards, > Shizheng Wen > > PS: > the mpi is mpich2-1.0.8, ifor-v10.1 and mkl-10.1.1.019 > > the arch.make is: > > # > # 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- . > # > # Use of this software constitutes agreement with the full conditions > # given in the SIESTA license, as signed by all legitimate users. > # > .SUFFIXES: > .SUFFIXES: .f .F .o .a .f90 .F90 > > SIESTA_ARCH=intel64_RHEL5.4 > > FPP= > FPP_OUTPUT= > FC=mpif90 > RANLIB=ranlib > > SYS=nag > > SP_KIND=4 > DP_KIND=8 > KINDS=$(SP_KIND) $(DP_KIND) > > FFLAGS=-g -O1 -static > FFLAGS_DEBUG=-g > FFLAGS_CHECKS=-g -O0 -debug full -traceback -C > FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT > LDFLAGS=-Vaxlib -static > > ARFLAGS_EXTRA= > > FCFLAGS_fixed_f= > FCFLAGS_free_f90= > FPPFLAGS_fixed_F= > FPPFLAGS_free_F90= > > SCALAPACK=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_scalapack_ilp64 > SOLVER=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_solver_ilp64 > BLACS= -L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_blacs_ilp64 > LAPACK=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_lapack > ITHREAD=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_sequential > ICORE=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_core > BLAS= -L/opt/intel/cmkl/10.1.1.019/lib/em64t -lmkl_intel_ilp64 > GUIDE=-L/opt/intel/cmkl/10.1.1.019/lib/em64t -lguide > PTHREAD=-lpthread > > COMP_LIBS= > > NETCDF_LIBS= > NETCDF_INTERFACE= > > LIBS=$(SCALAPACK) $(SOLVER) $(BLACS) $(LAPACK) $(ITHREAD) $(ICORE) > $(BLAS) $(GUIDE) $(PTHREAD) > > #SIESTA needs an F90 interface to MPI > #This will give you SIESTA's own implementation > #If your compiler vendor offers an alternative, you may change > #to it here. > MPI_INTERFACE=libmpi_f90.a > MPI_INCLUDE=/usr/local/include > > #Dependency rules are created by autoconf according to whether > #discrete preprocessing is necessary or not. > .F.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_fixed_F) $< > .F90.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FPPFLAGS) $(FPPFLAGS_free_F90) $< > .f.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_fixed_f) $< > .f90.o: > $(FC) -c $(FFLAGS) $(INCFLAGS) $(FCFLAGS_free_f90) $< > -- Sincerely, Shizheng Wen Dept. of Chem., NENU. Changchun, Jilin, China
