<div dir="ltr"><div>Dear Andy,</div><div> </div><div>It does not help. I put it into .cshrc file (setenv TMPDIR /tmp). I put export TMPDIR=/tmp into molpro file. Nothing help.</div><div> </div><div> </div><div>David<br></div>
<div class="gmail_quote">On Thu, Sep 8, 2011 at 3:40 PM, Andy May <span dir="ltr"><<a href="mailto:MayAJ1@cardiff.ac.uk">MayAJ1@cardiff.ac.uk</a>></span> wrote:<br><blockquote style="margin: 0px 0px 0px 0.8ex; padding-left: 1ex; border-left-color: rgb(204, 204, 204); border-left-width: 1px; border-left-style: solid;" class="gmail_quote">
David,<br>
<br>
I think I see the problem, you have not set the value of environment variable TMPDIR. Although Molpro itself will select an appropriate location if the variable is not set, the parallel.x launcher from Global Arrays requires this to be set (Presumably openmpi launcher does not require this, hence why your source code install worked). Please set the variable, eg:<br>
<br>
export TMPDIR=/tmp<br>
<br>
and then try.<br>
<br>
Best wishes,<br>
<br>
Andy<div class="im"><br>
<br>
On 08/09/11 13:15, David Danovich wrote:<br>
</div><blockquote style="margin: 0px 0px 0px 0.8ex; padding-left: 1ex; border-left-color: rgb(204, 204, 204); border-left-width: 1px; border-left-style: solid;" class="gmail_quote">
Dear Andy,<br>
I have run command molpro -v -n 2 <a href="http://h2-hf.com" target="_blank">h2-hf.com</a> <<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>> >& OUTPUT &<div class="im"><br>
Only output file was created in the directory. So I attached this OUTPUT<br>
file together with input file (I just changed extension from com to<br>
txt-com). I also have compiled molpro-2010.1-23 using source code and it<br>
works fine under CentOS6.0 I attached output file OUTPUT-work from this<br>
calculation as well (may be it will help you to understand the problem).<br>
Thank you David<br>
On Thu, Sep 8, 2011 at 1:35 PM, Andy May <<a href="mailto:MayAJ1@cardiff.ac.uk" target="_blank">MayAJ1@cardiff.ac.uk</a><br></div><div class="im">
<mailto:<a href="mailto:MayAJ1@cardiff.ac.uk" target="_blank">MayAJ1@cardiff.ac.uk</a>>> wrote:<br>
<br>
David,<br>
<br>
Please could you create a new directory, copy in the input file and<br>
then run again with -v option, i.e.:<br>
<br></div>
molpro -v -n 4 <a href="http://h2-hf.com" target="_blank">h2-hf.com</a> <<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>><div class="im"><br>
<br>
and then send the full output along with any files in the directory,<br>
including the input file.<br>
<br>
Best wishes,<br>
<br>
Andy<br>
<br>
<br>
On 07/09/11 14:44, David Danovich wrote:<br>
<br>
Hello,<br>
I have installed molpro-mpp-2010.1-23.Linux___<u></u>x86_64 on<br>
CentOS6.0 (from<br>
binary file) and got following error message (command: molpro<br>
-n 4<br></div>
<a href="http://h2-hf.com" target="_blank">h2-hf.com</a> <<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>> <<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>> )<div class="im">
<br>
<br>
<br>
tmp =<br>
/home/dodik/pdir//home/dodik/_<u></u>_PROGRAMS/molpro-2010-1-23/__<u></u>molprop_2010_1_Linux_x86_64___<u></u>i8.exe.p<br>
Creating: host=<a href="http://lewis.ch.huji.ac.il" target="_blank">lewis.ch.huji.ac.il</a><br></div>
<<a href="http://lewis.ch.huji.ac.il" target="_blank">http://lewis.ch.huji.ac.il</a>> <<a href="http://lewis.ch.huji.ac.il" target="_blank">http://lewis.ch.huji.ac.il</a>>,<div><div></div><div class="h5">
<br>
<br>
user=dodik,<br>
<br>
file=/home/dodik/PROGRAMS/__<u></u>molpro-2010-1-23/molprop_2010_<u></u>__1_Linux_x86_64_i8.exe,<br>
port=45855<br>
forrtl: severe (71): integer divide by zero<br>
Image PC Routine Line<br>
Source<br>
Unknown 00002AB8957BDD63 Unknown<br>
Unknown Unknown<br>
Unknown 00002AB8957ABE3D Unknown<br>
Unknown Unknown<br>
Unknown 00002AB89553BBA3 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 00000000035EE0DD Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 00000000035EDF16 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 0000000003230629 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 0000000003231044 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 000000000322CE76 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 000000000322DB1B Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 000000000184887B Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 0000000001845B62 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 0000000000402C0F Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 0000000000400535 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 00000000004004DC Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 000000000359EB99 Unknown<br>
Unknown Unknown<br>
molprop_2010_1_Li 00000000004003A9 Unknown<br>
Unknown Unknown<br>
4: interrupt(1)<br>
<br>
[1] Done molpro -n 4 <a href="http://h2-hf.com" target="_blank">h2-hf.com</a><br>
<<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>><br>
<<a href="http://h2-hf.com" target="_blank">http://h2-hf.com</a>><br>
<br>
<br>
when I try to run a simple input which works fine on CentOS5.6. The<br>
program actually does not start because the same error I got when I<br>
used just command<br>
molpro &<br>
May be somebody already found the solution for this problem.<br>
Thank you David<br>
<br>
<br>
<br>
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<br>
</div></blockquote>
</blockquote></div><br><br clear="all"><br>-- <br><div dir="ltr"><div>____________________________________________________________________________<br>Dr. David Danovich, The Lise Meitner Minerva Center for Computational Quantum Chemistry,</div>
<div>Institute of Chemistry, The Hebrew University, Edmond J. Safra Campus - Givat Ram,</div>
<div>91904 Jerusalem, Israel <a href="http://yfaat.ch.huji.ac.il/david.html" target="_blank">http://yfaat.ch.huji.ac.il/david.html</a>, <a href="mailto:david.danovich@huji.ac.il" target="_blank">david.danovich@huji.ac.il</a> </div>
<div>FAX:(+972)-2-6584033, Phone:(+972)-2-6586934(w), Mobile:(+972)-544-768669</div></div><br>
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