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<DIV><FONT face=Arial size=2>Dear pwscfer's</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I can compile the MPI version of espresso
package sucessfully and it runs on 2 processors within the same node.
However, it crashes whenever I try to run the example on more than 2 processors,
which means the communications need to be setup across the node. We have
marinet switch and I can run other MPI program sucessfully. Is there some
problem with my MPI running environment? or I need to specify something in the
make.sys file?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>When running on 4 processors (2 nodes), the error
message in the output looks:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>************************************************************************<BR>****
****<BR>**** CPV: variable-cell Car-Parrinello molecular
dynamics
****<BR>**** using ultrasoft Vanderbilt pseudopotentials -
v.2.1.1
****<BR>****
****<BR>************************************************************************</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2> Parallel version
(MPI)<BR> Number of processors in
use: 4</FONT></DIV>
<DIV> </DIV><FONT face=Arial size=2>
<DIV><BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV> from read_namelists : error
# 1<BR>
stopping ...<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV> stopping ...</DIV>
<DIV> </DIV>
<DIV><BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
from read_namelists : error
# 1<BR>
from read_namelists : error
#
1<BR> reading namelist
control<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV><BR> stopping ..<BR>
stopping ...<BR>[3] MPI Abort by user Aborting program !<BR>[3] Aborting
program!<BR>[1] MPI Abort by user Aborting program !<BR>[1] Aborting
program!<BR></FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>and the file 'CRASH' looks:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
task #
0<BR> from read_namelists : error
#
0<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</FONT></DIV>
<DIV> </DIV><FONT face=Arial size=2>
<DIV><BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
task # 3</DIV>
<DIV> </DIV>
<DIV> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
task #
0<BR> from read_namelists : error
#
0<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV><BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
task #
2<BR> from read_namelists : error
#
0<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</DIV>
<DIV> </DIV>
<DIV><BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
task #
0<BR> from read_namelists : error
#
0<BR> reading namelist
control<BR> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR></DIV>
<DIV>Thanks, Tianying</DIV></FONT></BODY></HTML>