I’m trying to run lammps fortran version. Executable file is made very well.
However, the problem is that it suddenly stops and shows segmental error when calling FFT.
The location, where error occurs, is ‘call fft_3d_create_plan’ of subroutine pppm_coeff.
I used provided ‘in.lc.big.pppm’ and ‘data.lc.big’ as a input script and data file which are provided as an example by lammps2001.
I have some reason to have to use lammps in fortran version.
Please let me know the reason why this segmental error happens.
Below are a modified ‘Makefile.linux’, output file ‘log.lammps’ and error message.
Makefile for Dell box with Debian linux
SHELL = /bin/sh
F90 = mpif90
F90FLAGS = -O3 -w -I/opt/mpi/intel/openmpi-1.4.1/include
CC = mpicc
CCFLAGS = -O3 -I/opt/mpi/intel/openmpi-1.4.1/include
LINK = mpif90
LINKFLAGS = -O3 -L/opt/fftw/2.1.5/intel-11.1/openmpi-1.4.1/double/lib -L/opt/mpi/intel/openmpi-1.4.1/lib
SYSLIB = -lfftw -lmpi_f90
SIZE = size
(LINK) (LINKFLAGS) (OBJ) (USRLIB) (SYSLIB) -o (EXE)
@cp < .F
(F90) (F90FLAGS) -c *.F @rm .F
(CC) (CCFLAGS) -c $<