Hi Ron,
that it would be strange although I'd not exclude it. Can you send me
your make.sys?
In particular I did
./configure --enable-parallel --enable-openmp --with-sclapack=intel
DFLAGS = -D__INTEL -D__DFTI -D__MPI -D__PARA -D__SCALAPACK
-D__OPENMP $(MANUAL_DFLAGS)
IFLAGS = -I../include -I${MKLROOT}/include
MPIF90 = mpiifort
CC = icc
F77 = ifort
Let me know if those settings help.
Nicola
On 20/08/2015 6:12 pm, Ronald Cohen wrote:
Thank you. I will compare. Do you think it is a compiler problem
then? Thank you,
Ron
Sent from my iPad
On Aug 20, 2015, at 12:05 PM, nicola varini <[email protected]
<mailto:[email protected]>> wrote:
Hi Ronald, I did your test with espresso-5.1.2 and I was not able to
reproduce the bug.
I did run on 1 nodes, which has 16 cores and ~ 30GB of RAM.
I did test with
srun -n 16 pw.x < xtal.in <http://xtal.in/>
srun -n 16 pw.x -npool 4 < xtal.in <http://xtal.in/>
They both work.
https://drive.google.com/file/d/0Bw84Psle5YfwNjFYNXR3azhVRVU/view?usp=sharing
I hope this help.
Nicola
--
Nicola Varini, PhD
Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
CE 0 813 (Bâtiment CE)
Station 1
CH-1015 Lausanne
+41 21 69 31332
http://scitas.epfl.ch
Nicola Varini
--
Nicola Varini, PhD
Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
CE 0 813 (Bâtiment CE)
Station 1
CH-1015 Lausanne
+41 21 69 31332
http://scitas.epfl.ch
Nicola Varini
_______________________________________________
Pw_forum mailing list
[email protected]
http://pwscf.org/mailman/listinfo/pw_forum
