ABINIT Discussion Forums

Hi, I am doing GW+PAW calculation for Ag, but the quasiparticle corrections of d bands are wrong, Anybody know if GW+PAW is suitable for noble metal calculations? Thanks The following is my input file ####################################################################################### #gwpara 2 #...

exactly, openmpi should be fine for compiling abinit,
but if you feel that openmpi is not suitable for your work,
you can install some parallelism compiler such as mpich2 without administrator privileges.

best
peter

Actually, you can install mpi youself depending on your preference,
abinit can compile by openmpi, mpich2, intel mpi(mpiifort) and so on,
for some free mpi software, you can install yourself on cluster.

It is possible that this problem is related to the compiler

Possible solution: change the other parallel compiler or use the old version 6.4.x

Hi, i am tyying install abinit 6.6.2, using the following command export CC=mpicc export CXX=mpicxx export FC=mpiifort ./configure --enable-mpi="yes" --with-mpi-incs="-I/home/my/mpi/include" --with-mpi-libs="-L/home/my/mpi/libs -lmpi" But stop here!! cchi0q0_intraband.F...