On Wed, Sep 14, 2016, Pooja Kesari wrote:
>
> setenv AMBERHOME "/usr/local/amber11"
> set PATH=($path $AMBERHOME)
Should be $AMBERHOME/bin, not $AMBERHOME.
> setenv LD_LIBRARY_PATH "/usr/lib64/openmpi/lib"
> set path = ($path $LD_LIBRARY_PATH)
It looks like you built openmpi from $AMBERHOME/AmberTools/src. In this
case, you need to include $AMBERHOME/lib in the LD_LIBRARY_PATH.
Even better: upgrade to AmberTools16 (it's free). Installation is much
simpler now than it was ten years ago, and many bugs have been fixed.
....dac
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Received on Wed Sep 14 2016 - 07:00:05 PDT
