| Re: parallel running error ( No.1 )|
- Date: 2015/11/06 22:28
- Name: duan <email@example.com>
- what's more，another warning occurs sometimes:
** On entry to DLAGTF, parameter number 1 had an illegal value
** On entry to DLAGTS, parameter number 2 had an illegal value
| Re: parallel running error ( No.2 )|
- Date: 2015/11/08 18:38
- Name: marcindulak
- You are not linking to openmpi, LIB needs to contain something like:
LIB= ... -L/usr/lib64/openmpi/lib -lmpi -lmpi_f90 -lmpi_f77
Aftert recompiling verify that openmx executable has mpi linkedin:
ldd `pathto../openmx3.6/bin/openmx` | grep mpi
The second problem, DLAGTS, suggests compatibility problems between openmx and lapack you used.
I would recommend using openblas instead, which includes lapack, also due to better performance.
One should not run netlib blas/lapack on a production system, they are only for demonstration purposes.
For reference, these are my makefile lines:
CC = mpicc -fopenmp -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic
FC = mpif90 -fopenmp -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules/openmpi
LIB = -lfftw3 -lopenblas -lgfortran -lelpa -L/usr/lib64/openmpi/lib -lmpi -lmpi_f90 -lmpi_f77
Are you really using g77 for compiling (-lg2c option)? The system must be close to 10 years old, as g77 has been replaced by gfortran in ~2006.
What is FC set to in your makefile? What is the output of:
Is there a special reason you choose openmx version 3.6 instead of the latest one + latest patch?