[molpro-user] Problem with molpro_key

[Greeves, Nick]

Dear All,

I am taking my first steps with Molpro on an iMac. I downloaded molprop_2015_1_darwin_x86_64_i8 (I hope this is the appropriate version).

I was able to run the installation script molpro-mpp-2015.1.0_trial.darwin_x86_64.sh using sudo and entered my username and password. I was encouraged by the message "Token sucessfully downloaded and installed”.

However when I try to run Molpro, I get errors suggesting this is a problem with the .token file. (see below)

I found .token here /usr/local/molpro/molprop_2015_1_darwin_x86_64_i8/lib/.token but it appears to be an empty file. Do I need to regenerate the .token and where should it reside?

I hope someone can advise what I am doing wrong and how to fix it.

Best regards
Nick
--
Nick Greeves                            via OS X Mail
Director of Teaching and Learning
Department of Chemistry
University of Liverpool
Donnan and Robert Robinson Laboratories
Crown Street, LIVERPOOL L69 7ZD U.K.
Email address:    ngreeves at liverpool.ac.uk<mailto:ngreeves at liverpool.ac.uk>
WWW Pages:    http://www.chemtube3d.com
Tel:            +44 (0)151-794-3506 (3500 secretary)
Dept Fax:   +44 (0)151-794-3588

ngmac:/ ngreeves$ /usr/local/molpro/molprop_2015_1_darwin_x86_64_i8/bin/molpro /Users/ngreeves/Desktop/ibo000.inp &
[1] 33412
ngmac:/ ngreeves$  ? Error
 ? process_options
 ? The problem occurs in unable to determine molpro_key
<error type="Error" location="unable to determine molpro_key"
  message="process_options"/>
<stm:metadataList>
 <stm:metadata name="dc:date" content="2016-02-08T09:11:52-00:00"/>
 <stm:metadata name="dc:creator" content="ngreeves"/>
 <stm:metadata name="cmlm:insilico" content="Molpro"/>
</stm:metadataList>
<platform>
 <licence id="unknown"/>
 <parallel processes="1" nodes="1" all_processes="1" openmp="0"/>
 <machine hostname="" architecture="">



  <sysinfo name="cpu MHz" content="4000.000000"/>
  <sysinfo name="MemTotal" content="17179869 kB"/>
  <sysinfo name="vendor_id" content="GenuineIntel"/>
  <sysinfo name="cpu family" content="6"/>
  <sysinfo name="model name" content="Intel(R) Core(TM) i7-4790K CPU @ 4.00GHz"/>
  <sysinfo name="flags"
    content="FPU VME DE PSE TSC MSR PAE MCE CX8 APIC SEP MTRR PGE MCA CMOV PAT PSE36 CLFSH DS ACPI MMX FXSR SSE SSE2 SS HTT TM PBE SSE3 PCLMULQDQ DTES64 MON DSCPL VMX EST TM2 SSSE3 FMA CX16 TPR PDCM SSE4.1 SSE4.2 x2APIC MOVBE POPCNT AES PCID XSAVE OSXSAVE SEGLIM64 TSCTMR AVX1.0 RDRAND F16C"/>
  <sysinfo name="cache size" content="262 kB"/>
  <sysinfo name="ncpu" content="8"/>
 </machine>
</platform>
<!--
--></>
</>

 GLOBAL ERROR fehler on processor   0
0:fehler:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, 1) - process 0



All the best
Nick
--
3D Organic Animations     http://www.chemtube3d.com
Tel:             +44 (0)151-794-3506 (3500 secretary)


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