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<DIV><FONT face=Arial size=2> Dear Carlo, </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thank you very much for your reply, which solved
many problems.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>>> The simpler fix is to remove in
neb_routines.f90 (SUBROUTINE <BR>>> compute_deg_of_freedom) the line
:<BR>>><BR>>> USE
basis, ONLY
: nat<BR></FONT></DIV>
<DIV><FONT face=Arial size=2>After doing this, I recompiled using the old
compiler v 7.3.1.3m.</FONT></DIV>
<DIV><FONT face=Arial size=2>The resulting ph.x now works with example 2! This
compiler worked</FONT></DIV>
<DIV><FONT face=Arial size=2>before but the executable ph.x didn't work with
example 2!</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I also compiled the program with the new
compiler (V. 7.41) which</FONT></DIV>
<DIV><FONT face=Arial size=2>worked this time for pw.x and ph.x. It runs exemple
2 without any</FONT></DIV>
<DIV><FONT face=Arial size=2>problem. However I get three new
errors:</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>module restart_spin</FONT></DIV>
<DIV><FONT face=Arial
size=2>
/\</FONT></DIV>
<DIV><FONT face=Arial size=2>f90-855 f90:ERROR RESTART_SPIN,
FIle=restart.f90,</FONT></DIV>
<DIV><FONT face=Arial size=2>line=10, column=8</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>The compiler has detected errors in module
"RESTART_SPIN".</FONT></DIV>
<DIV><FONT face=Arial size=2>No module information file will be created for this
module.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>use wavefunctions_module, only : evc ==>
evc_nc</FONT></DIV>
<DIV><FONT face=Arial
size=2>
/\</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>f90-1015 f90: ERROR READFILE_NEW,
FIle=restart.f90</FONT></DIV>
<DIV><FONT face=Arial size=2>line=505, Column=36</FONT></DIV>
<DIV><FONT face=Arial size=2>Local-name "EVC" must only be referenced once in a
rename-list</FONT></DIV>
<DIV><FONT face=Arial size=2>in this scope.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>use wavefunctions_module, only:evc ==>
evc_nc,psic==>psic_nc</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>f90-1015 f90: ERROR READFILE_CONFIG,
File=restart.f90, </FONT></DIV>
<DIV><FONT face=Arial size=2>Line=1038, </FONT><FONT face=Arial
size=2>column=15</FONT></DIV>
<DIV><FONT face=Arial size=2>Local-name "EVC" must only be referenced once
in a rename-list </FONT></DIV>
<DIV><FONT face=Arial size=2>in this scope.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Any quick fixes for these errors?
</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Thanks,</FONT></DIV>
<DIV><FONT face=Arial size=2>Taner</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>PS: I am hoping that eventually these fixes will
solve the</FONT></DIV>
<DIV><FONT face=Arial size=2>errors in ph.x created by pgi (which
still crushes for example 2).</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>********************************************************************<BR>Dr.
Taner Yildirim, Ph.D. Physicist, Condensed Matter Science
Group, <BR><A
href="mailto:taner@nist.gov">taner@nist.gov</A>
NIST Center for Neutron Research, <BR>PHONE:
301-975-6228 National Institute of Standards &
Technology<BR>FAX :
301-921-9847
Gaithersburg, MD 20899-8562<BR>Web : <A
href="http://webster.ncnr.nist.gov/staff/taner">http://webster.ncnr.nist.gov/staff/taner</A><BR>********************************************************************</FONT></DIV></BODY></HTML>