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<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Hi,</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>I am trying to confirm that (non-MPI) version 3.2.1
runs correctly on our Linux Xeon machine. If I install GROMACS via the RPM
package, and then run the test suite (obtained from the CVS server), I get
failures for a number of jobs:</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Testing dec+water . . . FAILED. Check files in d.dec+water</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Testing acetonitrilRF . . . FAILED. Check files in d.acetonitrilRF</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Testing tip4p . . . FAILED. Check files in d.tip4p</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Testing sw . . . FAILED. Check files in d.sw</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>I would like to know if these failures occur
generally for 3.2.1 with the current gmxtest, or whether they are specific to
our machine environment.</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Thanks,</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Ross</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>--<br>
</span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;
font-family:Arial'>Ross Nobes</span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'><br>
Manager, Physical and Life Sciences Research Group<br>
Fujitsu Laboratories of </span></font><font size=2 face=Arial><span lang=EN-GB
style='font-size:10.0pt;font-family:Arial'>Europe</span></font><font size=2
face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'><br>
</span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;
font-family:Arial'>Hayes</span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'> </span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>Park</span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>
Central, </span></font><font size=2 face=Arial><span lang=EN-GB
style='font-size:10.0pt;font-family:Arial'>Hayes End Road</span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'><br>
Hayes, </span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Middlesex</span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'> </span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'>UB4
8FE</span></font><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>, </span></font><font size=2 face=Arial><span
lang=EN-GB style='font-size:10.0pt;font-family:Arial'>UK</span></font><font
size=2 face=Arial><span lang=EN-GB style='font-size:10.0pt;font-family:Arial'><br>
Phone +44 (0) 77 7195 6113<br>
Fax +44 (0) 20 8606 4539<br>
E-mail <a href="mailto:R.Nobes@fle.fujitsu.com">R.Nobes@fle.fujitsu.com</a></span></font></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span lang=EN-GB
style='font-size:12.0pt'> </span></font></p>
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