[Molpro-user] "upgrade" 2006.1-52 -> 2008.1-0
Berger Raphael
berger at chem.helsinki.fi
Wed Aug 20 14:31:56 BST 2008
Dear Molpro Users,
upon trying to install (rpm -Uhv) molpro-mpp-2008.1-0.amd64.rpm after
deinstalliung molpro-mpp-2006.1-52.amd64.rpm (using yast) from a
__running__ configuration, and successfully running
acs05:/home/berger # /usr/local/bin/molpro-configure
Token installed from /root/.molpro/token
I get strange error messages in trying to run molpro:
berger at acs05:~/calc> molpro geo.com
tmp =
/home/berger/pdir//usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe.p
Creating: host=acs05, user=berger,
file=/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe,
port=2132
/usr/local/bin/molprop_2008_1_Linux_x86_64_i8.exe, len=49
-master, len=7
acs05.chemie.uni-bielfeld.de, len=28
2132, len=4
1, len=1
1, len=1
0, len=1
0, len=1
? Error
? more than 1 input file not allowed
? The problem occurs in process_options_array
<error type="Error" location="process_options_array"
message="more than 1 input file not allowed"/>
<stm:metadataList>
<stm:metadata name="dc:date" content="2008-08-19T00:29:28+02:00"/>
<stm:metadata name="dc:creator" content="berger"/>
<stm:metadata name="cmlm:insilico" content="Molpro">
<licence id="bielefeld"/>
<parallel processes="1" nodes="1" all_processes="1" openmp="0"/>
<machine hostname="" architecture="">
<sysinfo name="cpu MHz" content="3200.134"/>
<sysinfo name="MemTotal" content="16537328 kB"/>
<sysinfo name="vendor_id" content="AuthenticAMD"/>
<sysinfo name="cpu family" content="15"/>
<sysinfo name="model name" content="Dual-Core AMD Opteron(tm) Processor
2224 SE"/>
<sysinfo name="flags"
content="fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca
cmov pat pse36 clflush mmx fxsr sse sse2 ht syscall nx mmxext fxsr_opt
rdtscp lm 3dnowext 3dnow rep_good pni cx16 lahf_lm cmp_legacy svm extapic
cr8_legacy"/>
<sysinfo name="MemTotal" content="16537328 kB"/>
<sysinfo name="cache size" content="1024 KB"/>
<sysinfo name="ncpu" content="4"/>
</machine>
</stm:metadata>
</stm:metadataList>
<!--
--></>
</>
GLOBAL ERROR fehler on processor 0
1: interrupt(1)
WaitAll: No children or error in wait?
Has anyone got an idea what is going wrong?
Thank You for reading and best regards
----------------------------------------------
Dr. Raphael J. F. Berger
Anorganische Chemie und Strukturchemie
Universitaet Bielefeld
Fakultaet fuer Chemie
Universitaetsstr. 25
D-33615 Bielefeld
Germany
Tel.: ++49-521-106 2143 Labor
++49-521-106 6164 Buero
Email: raphael.berger at uni-bielefeld.de (off.)
berger at chem.helsinki.fi (priv.)
----------------------------------------------
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