ABINIT Discussion Forums

So, I went back to Abinit 7.0.4 and it seems to compile correctly with the above build.ac file. But what goes wrong in 7.2.1 I don't know.

/Christian

Hi again, I run my configure and make commands through a slurm script on our cluster. The screen output (dumped to a file) from the command ../configure --with-config-file=./build_intel13.ac > config-slurm.log looks like this: =========================================================================...

I'm trying to compile the latest abinit with the intel 13.1.1 compiler (our servers have been upgraded), but I'm having some problems. My config seems to work using a build.ac that looks like this: enable_gw_dpc="yes" enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix...

I've added the mpi directory in front of my PATH variable each time. With my current openmpi build I get [Fisker@CADnetwork test1]$ which mpirun /opt/openmpi-1.4.3-intel/bin/mpirun I have tried calling mpirun with the full path as well, with no luck. Does running abinit on a single machine with mpir...

So, I installed OpenMPI 1.4.3 instead, to test if it was a mpich problem. Now I get the following when running Abinit: mpirun -np 2 ~/Downloads/abinit-6.8.1/build/src/98_main/abinit < GaN.files *** The MPI_Comm_f2c() function was called before MPI_INIT was invoked. *** This is disallowed by the MPI ...

Hi there, When I run abinit with mpich2 I get the following error: [Fisker@CADnetwork EnergyConvergence]$ mpirun -np 2 abinit < GaN.files Attempting to use an MPI routine before initializing MPICH Attempting to use an MPI routine before initializing MPICH I've compiled mpich2-1.4 with Intel composer...