[molpro-user] Error in runnign init: MOLPRO Installation

Andy May MayAJ1 at cardiff.ac.uk
Wed Sep 3 07:20:25 BST 2014


Mahesh,

If you edit CONFIG and add the suggested '--allow-run-as-root' option to 
the LAUNCHER variable, probably immediately after mpirun, eg.:

LAUNCHER=/path/to/mpirun --allow-run-as-root [options]

then hopefully make will run complete.

Best wishes,

Andy

On 02/09/14 13:12, G Mahesh wrote:
> Dear Users,
>
> we are installing latest version of MOLPRO 2012.1.15 with gloabal array
> tool kit, ifort and intel mkl libraries. At the very end of the make
> file I'm getting errors, I have copied the part of the output of make
> having information about error.
>
> ***
> building dfunc.registry
> Error in running init
> --------------------------------------------------------------------------
> mpirun has detected an attempt to run as root. This is *strongly*
> discouraged as any mistake (e.g., in defining TMPDIR) or bug can
> result in catastrophic damage to the OS file system, leaving
> your system in an unusable state.
>
> You can override this protection by adding the --allow-run-as-root
> option to your cmd line. However, we reiterate our strong advice
> against doing so - please do so at your own risk.
> --------------------------------------------------------------------------
> make[1]: *** [init.log] Error 1
> make[1]: Leaving directory `/share/apps/MOLPRO/Version2012.1.15/Molpro/lib'
> make: *** [lib] Error 2
> ***
>
>
> Looks like root permission issue. But, I'm doing everything as root user.
>
> Can you please give a suggestion to solve the problem?
>
> Thanks
> Mahesh
>
>
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