Hi, all,
I'm testing siesta 2.0 with the Fe.fdf in Examples directory,
and it was OK when I change nothing.
However, if I change the option to "WriteMullikenPop 3", The program
will abort like this:
#tail of the Fe.out:
siesta: E_KS(eV) = -782.5199
siesta: E_KS - E_eggbox = -782.5199
p1_4381: p4_error: : 8260
rm_l_1_4388: (426.320312) net_send: could not write to fd=5, errno = 32
#tail of error output:
1 - MPI_SEND : Invalid message tag 1610612736
[1] Aborting program !
[1] Aborting program!
And if I run it with 1 node, it will end normally.
Also it ends normally in parallel mode with option of
"WriteMullikenPop" 1 or 2
What can I do to avoid this, or is this a bug?
Regards,
Cheng
