ABINIT Discussion Forums

Dear Thanusit, By reading your solved post on the analysis of the obtained NetCDF abinit file, I am interested in how you solve it once I am experiencing your same problems. I am not a python expert but, after some adjustments of the python script, diag_moldyn.py, I am facing the following problem: ...

Try to copy files mpif.h mpif-common.h mpif-config.h mpif-mpi-io.h from /usr/include into src/incs/ subdirectory of directory where you are running make Dear "lumbrius", I did not found these files in /usr/include. I suppose that I have to install MPI in my machine in order to have these ...

I found the problem. This is a little typo in the source file involved. Just apply the following patch and everything should get fine. === modified file 'src/51_manage_mpi/initmpi_grid.F90' --- src/51_manage_mpi/initmpi_grid.F90 2011-12-22 14:38:36 +0000 +++ src/51_manage_mpi/initmpi_grid.F90 2012-...

Try to copy files mpif.h mpif-common.h mpif-config.h mpif-mpi-io.h from /usr/include into src/incs/ subdirectory of directory where you are running make Dear "lumbrius", I did not found these files in /usr/include. I suppose that I have to install MPI in my machine in order to have these ...

Can you tell us whether the HAVE_MPI option is defined in config.h? Cher Yann, At the config.h file, after running the ./configure we have: ... /* Define to 1 if you have the <memory.h> header file. */ #define HAVE_MEMORY_H 1 /* Define to 1 if you want to enable MPI support. */ /* #undef HAVE_MPI *...

Dear abinitioners, I am trying to install a new sequential abinit version, 6.10.3, in a acer notebook with Scientific Linux v5.4 installed. First I have run the configure as $ ./configure --enable-mpi=no FC=g95 and everything seems to be ok, asseen in the config.log file attached. However, when I've...