[molpro-user] Problem about the molpro install

[Klaus Doll]

You have to enter your Sysid first on your account page, please login at
https://www.molpro.net/licensee/licensee?id=hee
and enter it in the section "Licences:"
Best wishes
Klaus


On 08/20/2016 09:32 AM, 何永辉 wrote:
> Dear Prof.
>
>      This is my install process for the molpro:
>
>
>
>      [root at localhost Downloads]# ./molpro-mpp-2015.1.0_trial.linux_x86_64.sh
>
> Enter bin directory to link Molpro (optional) []
>
>
> Enter installation directory for Molpro files [/usr/local/molpro/molprop_2015_1_linux_x86_64_i8]
> /home/user/molpro
>
> Installation of Molpro files complete
>
> Please give your username for accessing molpro
> hee
>
> Please give your password for accessing molpro
> ******
>
> Token sucessfully downloaded and installed.
>
>
> While, make test for molpro like this: ./molpro in /home/user/molpro/bin/. Show the error:
>
>
> [root at localhost molpro]# cd bin
> [root at localhost bin]# ls
> hydra_pmi_proxy  molpro  molpro.exe  mpiexec.hydra
> [root at localhost bin]# ./molpro
>   ? 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="2016-08-20T03:44:09-04:00"/>
>   <stm:metadata name="dc:creator" content="user"/>
>   <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="1200.000"/>
>    <sysinfo name="MemTotal" content="1848232 kB"/>
>    <sysinfo name="vendor_id" content="GenuineIntel"/>
>    <sysinfo name="cpu family" content="6"/>
>    <sysinfo name="model name" content="Pentium(R) Dual-Core  CPU      E5300  @ 2.60GHz"/>
>    <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 lm constant_tsc arch_perfmon pebs bts rep_good nopl aperfmperf pni dtes64 monitor ds_cpl vmx est tm2 ssse3 cx16 xtpr pdcm xsave lahf_lm dtherm tpr_shadow vnmi flexpriority"/>
>    <sysinfo name="MemTotal" content="1848232 kB"/>
>    <sysinfo name="cache size" content="2048 KB"/>
>    <sysinfo name="ncpu" content="2"/>
>   </machine>
> </platform>
> <!--
>
>   GLOBAL ERROR fehler on processor   0
> --></>
> </>
> 0:fehler:Received an Error in Communication
> application called MPI_Abort(comm=0x84000000, 1) - process 0
>
> ===================================================================================
> =   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
> =   PID 22622 RUNNING AT localhost.localdomain
> =   EXIT CODE: 1
> =   CLEANING UP REMAINING PROCESSES
> =   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
> ===================================================================================
> [root at localhost bin]#
>
> Can you give me your hand for this? Thanks very much!
>
>
>
>
>
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> Molpro-user at molpro.net
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-- 
Klaus Doll
University of Stuttgart
Molpro Quantum Chemistry Software
Institute of Theoretical Chemistry
Pfaffenwaldring 55
D-70569 Stuttgart
Germany