ABINIT Discussion Forums

Dear Angelika, Do you have installed "wget" ? The configure file used that to download the netcdf library and put it in your "user directory" in a hidden dir called something like .abinit/tarballs/ If your internet connection fails sometimes, you could find the link for the libra...

Dear Matthieu, I have the following compilers from openmpi 1.4.1 in the /usr/local/bin dir mpic++ mpiCC mpiCC-vt mpicxx mpiexec mpif77-vt mpif90-vt mpicc mpicc-vt mpic++-vt mpicxx-vt mpif77 mpif90 mpirun Also I have run a hello world example from: m and the installation seems to be OK. In my previou...

Dear Abinitiers, I used to run Abinit 5.8.4 with OpenMPI 1.4.1 in a Fedora 12 - 32 bits machine. I have moved to the Abinit 6.0.2 version but now in a Fedora 12 -64 bits machine Without openMPI there is no problem (serial version), but i can not link to the openMPI code. I got the following error af...

Hi Abinitiers, I am trying to do the Hirschfeld analysis with the following page m but i deal with the need of an *.density.AE file. Does anyone of you know how to do the Hirschfeld analysis? And what about for the Bader analysis? Which is the more considerable difference? Please, I need your help. ...

Hi Abinitiers, Could anyone say me how to simulate an ion (cation and anion) of molecule in a supercell using the abinit program? This is giving a charge to the molecule. I mean which the keywords are. Another question is about the multiplicity, for example I was running my jobs giving each atom of ...

Hi Abinitiers, I was doing a job and before it finished the .log file had the following: mpirun noticed that process rank 0 with PID 6735 on node UNI.PC15 exited on signal 9 (Killed) Where UNI.PC15 is my machine. I used openmpi 1.4 in a core2duo machine, with 3 Gb of RAM (I don't know if this is imp...