<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=iso-8859-1">
<META content="MSHTML 6.00.6000.16674" name=GENERATOR>
<STYLE></STYLE>
</HEAD>
<BODY bgColor=#ffffff>
<DIV><FONT face=Arial size=2>
<DIV><FONT face=Arial size=2>Dear Forum,</FONT></DIV>
<DIV> On May 12 Dong Hee Lim reported a
problem with Example 02 when running espresso-4.0.1. Paolo G. asked for
more details but I have not seen any since then. I am reporting a similar
problem with some of the output. These were run using espresso-4.0.1 in
serial mode using a fortran g95 fortran compiler.</DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>/home/amos/Desktop/espresso-4.0.1/examples/example02</FONT></DIV></FONT></DIV>
<DIV><FONT face=Arial size=2>env
LD_LIBRARY_PATH=/opt/intel/mkl/10.0.3.020/lib/em64t ./run_example</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>This example shows how to use pw.x and ph.x to
calculate phonon frequencies at Gamma and X for Si and C</FONT></DIV>
<DIV><FONT face=Arial size=2>in the diamond structure and for
fcc-Ni</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> executables directory:
/home/amos/Desktop/espresso-4.0.1/bin</FONT></DIV>
<DIV><FONT face=Arial size=2> pseudo
directory:
/home/amos/Desktop/espresso-4.0.1/pseudo</FONT></DIV>
<DIV><FONT face=Arial size=2> temporary
directory /home/amos/tmp</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> checking that needed directories and files
exist... done</FONT></DIV>
<DIV><FONT face=Arial size=2> </FONT></DIV>
<DIV><FONT face=Arial size=2> running pw.x as
:
/home/amos/Desktop/espresso-4.0.1/bin/pw.x</FONT></DIV>
<DIV><FONT face=Arial size=2> running ph.x as
: /home/amos/Desktop/espresso-4.0.1/bin/ph.x</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> cleaning /home/amos/tmp...
done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the scf calculation...
done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the phonon calculation at
Gamma... done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the nscf calculation at X for a
single mode... done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the phonon calculation at X for a
single mode ... STOP 2</FONT></DIV>
<DIV><FONT face=Arial size=2>Error condition encountered during
test: exit status = 2</FONT></DIV>
<DIV><FONT face=Arial size=2>Aborting</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Example 07</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>This gives the same sort of sequence through
running pw.x, ph.x, q2r.x, matdyn.x. It then goes through: cleaning
/home/amos/tmp.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2> running the scf calculation with dense
k-point grid... done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the scf calculation...
done</FONT></DIV>
<DIV><FONT face=Arial size=2> running the el-ph calculation...
STOP 2</FONT></DIV>
<DIV><FONT face=Arial size=2>Error condtion encountered during test: exit status
= 2</FONT></DIV>
<DIV><FONT face=Arial size=2>Aborting</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Both examples stop in the same portion of the
run_example and probably have the same cause. Some other examples
complete properly but I have not tested all of them</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>
Amos
Leffler.</FONT></DIV></BODY></HTML>