Hi. I have a problem running siesta-3.2-pl-4 on CentOS 6.5, x86_64 architecture.
The following is what I get while running mpirun -np 4 siesta < h2o_dos.fdf : [pho:13541] *** Process received signal *** [pho:13541] Signal: Bus error (7) [pho:13541] Signal code: (128) [pho:13541] Failing at address: (nil) [pho:13541] [ 0] /lib64/libpthread.so.0[0x3fdfe0f710] [pho:13541] [ 1] /data/siesta-3.2-pl-4/Obj/siesta[0x76e9d9] [pho:13541] [ 2] /data/siesta-3.2-pl-4/Obj/siesta[0x5f6ee4] [pho:13541] [ 3] /data/siesta-3.2-pl-4/Obj/siesta[0x609144] [pho:13541] [ 4] /data/siesta-3.2-pl-4/Obj/siesta[0x63e590] [pho:13541] [ 5] /data/siesta-3.2-pl-4/Obj/siesta[0x63e653] [pho:13541] [ 6] /data/siesta-3.2-pl-4/Obj/siesta[0x40edb6] [pho:13541] [ 7] /lib64/libc.so.6(__libc_start_main+0xfd)[0x3510a1ed1d] [pho:13541] [ 8] /data/siesta-3.2-pl-4/Obj/siesta[0x40eca9] [pho:13541] *** End of error message *** Bus error (core dumped) I used Intel parallel studio 2013 and openmpi 1.8 (compiled with intel) to compile the code. The arch.make is: .SUFFIXES: .SUFFIXES: .f .F .o .a .f90 .F90 SIESTA_ARCH=intel-mpi FPP= FPP_OUTPUT= FC=mpif90 RANLIB=ranlib SYS=nag SP_KIND=4 DP_KIND=8 KINDS=$(SP_KIND) $(DP_KIND) FFLAGS= -w -mp -O2 -xSSE4.2 -static-intel FFLAGS_DEBUG= -g FFLAGS_CHECKS= -g -O0 -debug full -traceback -C LDFLAGS= FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT FCFLAGS_fixed_f= FCFLAGS_free_f90= FPPFLAGS_fixed_F= FPPFLAGS_free_F90= COMP_LIBS= NETCDF_LIBS= NETCDF_INTERFACE= MKLPATH=/opt/intel/composer_xe_2013_sp1.0.080/mkl/lib/intel64 LIBS= -L$(MKLPATH) -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm MPI_INTERFACE=libmpi_f90.a MPI_INCLUDE=/export/computing/software/mpi/openmpi/intel/1.8/include DEFS_MPI=-DMPI .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) $< It's worth mentioning that the siesta-2.0.2 works fine with the same arch.make file. Best Regards Mohammad
