[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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