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Hi,
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<div>I installed the distributed binary version of molpro Version 2010.1 on a system that uses PBS.</div>
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<div>When I ssh to a node and run the molpro script, it works fine, but when I submit it in the queue I get the following error in the .oxxxx file and not molpro output file is generated.</div>
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<div><font class="Apple-style-span" face="Monaco" size="2">Warning: no access to tty (Bad file descriptor).</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">Thus no job control in this shell.</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">Image PC Routine Line Source </font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000003593F0A Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000003592A85 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000034C0296 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000034565F5 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000003455DB1 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 000000000347929B Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000003477960 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000000486A54 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000000484186 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000004824ED Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000000403B51 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 0000000000400535 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000004004DC Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000035A6679 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">molpro.exe 00000000004003A9 Unknown Unknown Unknown</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">tmp = /home/rkanters/pdir//usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe.p</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2"> Creating: host=inode17, user=rkanters,</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2"> file=/usr/local/molpro/molprop_2010_1_Linux_x86_64_i8/bin/molpro.exe, port=54616</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2"> 1: interrupt(1)</font></div>
<div><font class="Apple-style-span" face="Monaco" size="2">WaitAll: No children or error in wait?</font></div>
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<div>When, in the PBS submission script, I unset the PBS_NODEFILE environment variable, things work again (but I am limited to running on a single node).</div>
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<div>Any ideas as to what am I doing wrong?</div>
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<div>Thanks.</div>
<div>René</div>
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