Please read the doku about parallelization in the WIEN2k usersguide.
mpi-parallelization is NOT done over k-points.
mpi-parallelization is useful ONLY for bigger cases, where big depends
on your machine, accuracy and number of processes you want to use.
Typically, the blocksize of an mpi-block
I've seen this sort of trend elsewhere, sysadmins expecting users to only
run one mpi job rather than parallel ones, and this can lead to problems for
Wien2k. Some possibilities:
1. Run everything as 1 mpi. This is less efficient, quicker for you.
2. Use rsh, or ask a sysadmin for an equivalent.
Dear All,
I have recently moved my Wien2k calculations to a new machine (Hector in the
UK). This machine does not allow passwordless ssh and therefore disables the
k-point parallel part of Wien2k. I therefore want to clarify some points
about how MPI (chiefly lapw1_mpi) works in Wien2k.
If I run
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