[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 = 
  Creating: host=acs05, user=berger,
/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: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 
    <sysinfo name="MemTotal" content="16537328 kB"/>
    <sysinfo name="cache size" content="1024 KB"/>
    <sysinfo name="ncpu" content="4"/>

  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

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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