Re: [AMBER] Too much comparisons failed for test_at_parallel

From: David A Case <>
Date: Tue, 18 Dec 2018 12:15:46 -0500

On Tue, Dec 18, 2018, changseo park wrote:

>make test
>with export DO_PARALLEL="mpirun -np 8".
>I got lots of file comparison failed.
>585 file comparisons passed
>329 file comparisons failed
>6 tests experienced errors

This is indeed an indication of a failed installation. Make sure that
the mpirun command in your PATH is indeed the one designed for the intel
compiler you used: typing "which mpirun" may provides helpful information.

Also, check the outputs from "which mpif90" and "mpif90 -show": make
sure they are invoking the correct (Intel) version of ifort.

>./configure -mpi -intelmpi -mkl intel

If your system has access to gnu compilers (and to MPI installations
build on those compilers) you might try that. Otherwise, it would be
helpful to know what version of the intel compilers you are using.

...good luck...dac

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Received on Tue Dec 18 2018 - 09:30:03 PST
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