Hello all,
I am currently attempting to use OpenMPI as my MPI for my VASP calculations.
VASP is an ab initio DFT code. Anyhow, I was able to compile and build OpenMPI
v. 1.4.1 (i thought) correctly using the following command:
./configure --prefix=/home/tes98002 F77=ifort FC=ifort --with-tm=/
Vasp can be temperamental. For example, I have a largish system (384
atoms) for which Vasp hangs if I request more than 120 MD steps at a
time. I am not convinced that this is OPMI's problem. However, your
case looks much more diagnosable than my silent spinning hang.
On Tue, 2010-02-23 at 16:0
Hello everyone,
I'm trying to implement some functions in my code using parallel writing.
Each processor has an array, say q, whose length is single_no(could be zero
on some processors). I want to write q down to a common file, but the
elements of q would be scattered to their locations in this f
