[molpro-user] Problem with molpro_key

[Andy May]

Nick,

I looked at your account and you have not yet entered a sysid for the
machine where you are planning to run Molpro, please login to the website
and enter the sysid, you can then download the token file and install it
where the empty one is currently.

Best wishes,

Andy

On 8 February 2016 at 10:17, Greeves, Nick <ngreeves at liverpool.ac.uk> wrote:

> 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
> 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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