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

Klaus Doll doll at theochem.uni-stuttgart.de
Mon Oct 2 09:06:34 CEST 2017

Dear Yahong Chen,

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On 29.09.2017 05:47, 陈亚红 wrote:
> /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:metadataList> <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"/> 
> </stm:metadataList> <platform> <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"/> </machine> </platform> <!-- --></> </> 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?/ //Thanks! Yahong Chen /
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> Molpro-user at molpro.net
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