Hi, This question has been shared before, but since I didn't find any solution for that I share it again. I have compiled Siesta once with ifort and once with gfortran. I have used once mpich2 and once again openmpi. The parallel compilation of Siesta goes on with no problem mentioning the proper addresses of scalapack and blacs.
But when I want to run and execute the following command: mpirun -np 8 ../../Src/siesta <batio3.fdf>& batio3.out The following message appears: "" job rank 0 with PID 4208 on node linux-4pel exited on signal 15 (Terminated). "" I ran it once with debugger as follows: "" mpirun --debug-daemons -np 8 ../../Src/siesta <batio3.fdf>& batio3.out "" the following message appeared: Daemon [0,0,1] checking in as pid 13286 on host linux-4pel [linux-4pel:13286] [0,0,1] orted: received launch callback [linux-4pel:13286] [0,0,1] orted_recv_pls: received message from [0,0,0] [linux-4pel:13286] [0,0,1] orted_recv_pls: received kill_local_procs mpirun noticed that job rank 0 with PID 13287 on node linux-4pel exited on signal 15 (Terminated). [linux-4pel:13286] [0,0,1] orted_recv_pls: received message from [0,0,0] [linux-4pel:13286] [0,0,1] orted_recv_pls: received exit [linux-4pel:13286] [0,0,1] ORTE_ERROR_LOG: Not found in file ../../../../../orte/mca/odls/default/odls_default_module.c at line 540 [linux-4pel:13286] [0,0,1] ORTE_ERROR_LOG: Not found in file ../../../../../orte/mca/odls/default/odls_default_module.c at line 540 what does it mean the log is not found?!?! do I use a wrong command to run SIESTA in parallel? The following is the "arch.make" and I hope you would kindly help me. Tim Evans Graduate Student Columbia University 740 Mudd, MC 5283, Box 83 New York , NY 10027 # # 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. # .SUFFIXES: .SUFFIXES: .f .F .o .a .f90 .F90 SIESTA_ARCH=i686-pc-linux-gnu--Gfortran FPP= FPP_OUTPUT= FC=/usr/local/bin/mpif90 RANLIB=ranlib SYS=nag SP_KIND=4 DP_KIND=8 KINDS=$(SP_KIND) $(DP_KIND) FFLAGS=-g -O2 FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT LDFLAGS= ARFLAGS_EXTRA= FCFLAGS_fixed_f= FCFLAGS_free_f90= FPPFLAGS_fixed_F= FPPFLAGS_free_F90= BLAS_LIBS=/home/tvns/scalapack_installer_0.94/lib/librefblas.a LAPACK_LIBS=/home/tvns/scalapack_installer_0.94/lib/libreflapack.a BLACS_LIBS=/home/tvns/scalapack_installer_0.94/lib/blacs.a /home/tvns/scalapack_installer_0.94/lib/blacsC.a SCALAPACK_LIBS=/home/tvns/scalapack_installer_0.94/lib/libscalapack.a COMP_LIBS=dc_lapack.a liblapack.a libblas.a NETCDF_LIBS= NETCDF_INTERFACE= LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(LAPACK_LIBS) $(BLAS_LIBS) $(NETCDF_LIBS) #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=/usr/local/lib/libmpi_f90.a MPI_HOME=/home/tvns/openmpi-1.2.8 MPI_INCLUDE=/home/tvns/openmpi-1.2.8/ompi/include #MPI_LIB=/home/tvns/openmpi-1.2.8/lib DEFS_MPI=-DMPI
