[molpro-user] unable to determine molpro_key: MOLPRO Installation

陈亚红 chenyahong at nuc.edu.cn
Fri Sep 29 05:47:40 CEST 2017

Dear Users,   We have installed latest version of MOLPRO 2015.1.1 binary code on Centos 7 for a trail.
There is an running error, which reads:

 ? Error
 ? unable to determine molpro_key
 ? The problem occurs in process_options
<error type="Error" location="process_options"
  message="unable to determine molpro_key"/>
 <stm:metadata name="dc:date" content="2017-09-29T10:48:26+08:00"/>
 <stm:metadata name="dc:creator" content="ghf"/>
 <stm:metadata name="cmlm:insilico" content="Molpro"/>
 <licence id="unknown"/>
 <parallel processes="1" nodes="1" all_processes="1" openmp="0"/>
 <machine hostname="" architecture="">
  <sysinfo name="cpu MHz" content="2499.921"/>
  <sysinfo name="MemTotal" content="131805540 kB"/>
  <sysinfo name="vendor_id" content="GenuineIntel"/>
  <sysinfo name="cpu family" content="6"/>
  <sysinfo name="model name" content="Intel(R) Xeon(R) CPU E7-4830 v2 @ 2.20GHz"/>
  <sysinfo name="flags"
    content="fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc aperfmperf eagerfpu pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 cx16 xtpr pdcm pcid dca sse4_1 sse4_2 x2apic popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm ida arat pln pts dtherm tpr_shadow vnmi flexpriority ept vpid fsgsbase smep erms xsaveopt"/>
  <sysinfo name="MemTotal" content="131805540 kB"/>
  <sysinfo name="cache size" content="20480 KB"/>
  <sysinfo name="ncpu" content="80"/>

 GLOBAL ERROR fehler on processor   0                                         
0:fehler:Received an Error in Communication

It seems a MOLPRO key/token issue. We have applied for a trail license, and we found that a token was successfully downloaded during the installation. However we found the .token file in 
/usr/local/molpro/molprop_2015_1_linux_x86_64_i8/lib, which is 1 byte in size.

Can you please give a suggestion to solve the problem?

Yahong Chen
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20170929/8618c754/attachment.html>

More information about the Molpro-user mailing list