Hi,
I am trying to install amber16 on my new workstation (Intel(R) Xeon(R) CPU
E5-2640 v4 . 2.40GHz). It has ubuntu16.04 LTS OS.
After installing Amber in parallel, I got no Failure with
export DO_PARALLEL="mpirun -np 2"
but when i tested with
export DO_PARALLEL="mpirun -np 8"
I got following failure msg:
possible FAILURE: check mdout.emil.0.5.dif
/home/hirdesh/amber16/test/emil/emil_sander_tip3p
101a102,105
> ***** Processor 0
> ***** System must be very inhomogeneous.
> ***** Readjusting recip sizes.
> In this slab, Atoms found: 310 Allocated: 309
---------------------------------------
possible FAILURE: check mdout.emil.0.9.dif
/home/hirdesh/amber16/test/emil/emil_sander_tip3p
122a123,126
> ***** Processor 0
> ***** System must be very inhomogeneous.
> ***** Readjusting recip sizes.
> In this slab, Atoms found: 310 Allocated: 309
---------------------------------------
Do I need to worry about it or should I proceed to cuda installation ?
Thanks,
Hirdesh
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Received on Fri Jan 27 2017 - 10:30:04 PST
