[gmx-users] Installation problem on CRAY XC40----Gromacs-5.0.4

[Szilárd Páll]

Nothing unexpected, you can't run on the login node binaries that you
compiled for the compute nodes.
--
Szilárd


On Tue, Mar 31, 2015 at 7:48 AM, Satyabrata Das <satyabratad04 at gmail.com> wrote:
> Thank you, I will read Cray docs again, presently trying to install with
> gcc 4.8 because
> 4.9 is showing incompatibility error with the available cudatoolkit. It
> seems CPU-only
> installation is successful. However both built in test case and
> regression-test failed with the
> following error:
>
> [Tue Mar 31 00:44:27 2015] [c1-0c0s1n1] Fatal error in MPI_Init: Other MPI
> error, error stack:
> MPIR_Init_thread(506):
> MPID_Init(192).......: channel initialization failed
> MPID_Init(569).......:  PMI2 init failed: 1
>
> Kindly help,
>
> With best regards,
>
> Satyabrata Das
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