[Molpro-user] "upgrade" 2006.1-52 -> 2008.1-0

[Andy May]

After some dialog we have discovered two important points:

1. Old rc files may contain options that are no longer used. Also 
comments are no longer allowed in rc files. Actually, Molpro now has 
sensible defaults for almost all options and one should make a fresh rc 
file for 2008.1 if required.

2. The patchlevel 0 binaries do not work for some license tokens. I have 
rebuilt all of the rpms with some bug fixes, which are now available to 
download (patchlevel 3).

Best wishes,

Andy

Berger Raphael wrote:
> 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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