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<p class="MsoPlainText"><b><span lang="EN-US">Dear Molpro users,<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">I tried installing molpro 2009.1
version.<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">The installation was successful, but when
I tried to run a test job it made an error which is listed below.<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">Thanks in advance.<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">test.inp<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><o:p> </o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">***,CASpt2 single point calculation
input file<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>memory,500,m<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>print, basis, orbitals<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>file,2, 2-12-10-11ts-mp.wfu,new;<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span></span></b><b><span style="" lang="PT-BR">geomtyp=XYZ<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>geometry={angstrom<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>19<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>Cartesian coordinates:<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>1.861321<span style=""> </span>-0.845155<span style=""> </span>0.289844<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>0.539655<span style=""> </span>-1.436587<span style=""> </span>0.004867<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-0.633072<span style=""> </span>-0.736099<span style=""> </span>0.008162<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-0.613977<span style=""> </span>0.730015<span style=""> </span>0.071318<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>0.557927<span style=""> </span>1.455944<span style=""> </span>0.048556<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style=""> </span><span style=""> </span>1.874209<span style="">
</span>0.899867<span style=""> </span>-0.072293<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>-1.902524<span style=""> </span>-2.489011<span style=""> </span>-0.184765<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>1.840811<span style=""> </span>-0.460927<span style=""> </span>1.351651<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>0.535596<span style=""> </span>-2.507956<span style=""> </span>-0.175981<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-1.906635<span style=""> </span>-1.407277<span style=""> </span>-0.110229<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-1.884301<span style=""> </span>1.408242<span style=""> </span>0.091860<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>0.521381<span style=""> </span>2.539295<span style=""> </span>-0.006938<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-3.052953<span style=""> </span>0.718997<span style=""> </span>0.013004<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>C<span style="">
</span>-3.071205<span style=""> </span>-0.713539<span style=""> </span>-0.101065<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>-1.886038<span style=""> </span>2.489990<span style=""> </span>0.160138<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>-3.995024<span style=""> </span>1.255694<span style=""> </span>0.026102<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>H<span style="">
</span>-4.021552<span style=""> </span>-1.228089<span style=""> </span>-0.175635<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span>O<span style="">
</span>2.924602<span style=""> </span>1.430840<span style=""> </span>-0.236889<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span style="" lang="PT-BR"><span style=""> </span></span><span lang="EN-US">O<span style=""> </span>2.935591<span style=""> </span>-1.436520<span style="">
</span>-0.070451<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>}<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>basis=6-31G*<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>rhf;occ,42; closed,41; wf,83,1,1<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>basis=6-311G**<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>rhf;start,2100.2<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>multi; core, 12; occ,46; closed,37;wf,83,1,1<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>rs2c; core, 12; occ,46; closed,37;wf,83,1,1<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><span style=""> </span>---<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">IT IS PARALLE EXECUTION<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><o:p> </o:p></span></b></p>
<p class="MsoPlainText"><span lang="EN-US">linux-q0mt:#
/usr/local/bin/molprop_2009_1_Linux_x86_64_i8<span style="">
</span>-d /tmp<span style=""> </span>test.inp</span></p>
<p class="MsoPlainText"><span lang="EN-US">tmp =
/root/pdir//usr/local/bin/molprop_2009_1_Linux_x86_64_i8.exe.p</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style=""> </span>Creating: host=linux-q0mt, user=root,</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>file=/usr/local/bin/molprop_2009_1_Linux_x86_64_i8.exe, port=37633</span></p>
<p class="MsoPlainText"><span lang="EN-US">/usr/local/bin/molprop_2009_1_Linux_x86_64_i8.exe,
len=49</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>-d, len=2</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>/tmp, len=4</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style=""> </span>test.inp, len=9</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>-master, len=7</span></p>
<p class="MsoPlainText"><span lang="EN-US">linux-q0mt.site, len=15</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>37633, len=5</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>1, len=1</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>1, len=1</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0, len=1</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0, len=1</span></p>
<p class="MsoPlainText"><span lang="EN-US">0:0:checkinp:: 1256477720</span></p>
<p class="MsoPlainText"><span lang="EN-US">(rank:0 hostname:linux-q0mt
pid:9307):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0</span></p>
<p class="MsoPlainText"><span lang="EN-US">Last System Error Message from Task 0::
Inappropriate ioctl for device</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0: ARMCI aborting 0 (0).</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0: ARMCI aborting 0 (0).</span></p>
<p class="MsoPlainText"><span lang="EN-US">system error message: Inappropriate
ioctl for device</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>1: interrupt(1)</span></p>
<p class="MsoPlainText"><span lang="EN-US">WaitAll: No children or error in wait?</span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">IT IS SERIAL EXECUTION<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US">++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<o:p></o:p></span></b></p>
<p class="MsoPlainText"><b><span lang="EN-US"><o:p> </o:p></span></b></p>
<p class="MsoPlainText"><span lang="EN-US">linux-q0mt:# /usr/local/bin/molprop_2009_1_Linux_x86_64_i8.exe<span style=""> </span>-d /tmp<span style="">
</span>test.inp</span></p>
<p class="MsoPlainText"><span lang="EN-US">/usr/local/bin/molprop_2009_1_Linux_x86_64_i8.exe,
len=49</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>-d, len=2</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>/tmp, len=4</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style=""> </span>test.inp, len=9</span></p>
<p class="MsoPlainText"><span lang="EN-US">0:0:checkinp:: -1806290568</span></p>
<p class="MsoPlainText"><span lang="EN-US">(rank:0 hostname:linux-q0mt
pid:9408):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0</span></p>
<p class="MsoPlainText"><span lang="EN-US">Last System Error Message from Task 0::
Inappropriate ioctl for device</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0: ARMCI aborting 0 (0).</span></p>
<p class="MsoPlainText"><span lang="EN-US"><span style="">
</span>0: ARMCI aborting 0 (0).</span></p>
<p class="MsoPlainText"><span lang="EN-US">system error message: Inappropriate
ioctl for device</span></p>
<p class="MsoPlainText"><span lang="EN-US"><o:p> </o:p></span></p>
</td></tr></table><br>