[gmx-developers] using -ddcsx/y/z with and without DLB
vargas
vargas at mpip-mainz.mpg.de
Wed Oct 26 11:30:45 CEST 2016
Hey all,
true, I did -dd 4 4 4 and not -dd "4 4 4" (sub script was:
write("+str(i)+") which give integers). I obtain exactly the same error:
Failed...too many arguments in option -ddcsx.... etc
Thanks in advance!
Horacio
On 2016-10-26 10:52, Berk Hess wrote:
> Hi,
>
> I think the issue is that -dd expects 3 integers, not a string.
>
> Cheers,
>
> Berk
>
> On 2016-10-26 10:35, Horacio A. Vargas Guzman wrote:
>> Dear All.
>>
>> The commands I tried to run for a processors grid 4x4x4 are:
>>
>> 1. <mpiexec -n 64 mdrun_mpi -v -s -dlb no -dd "4 4 4" -ddcsx "1.5 1.5
>> 0.5 0.5" -ddcsy "1.5 1.5 0.5 0.5" -ddcsz "1.5 1.5 0.5 0.5">
>>
>> OR with DLB
>>
>> 2. <mpiexec -n 64 mdrun_mpi -v -s -dlb yes -dd "4 4 4" -ddcsx "1.5 1.5
>> 0.5 0.5" -ddcsy "1.5 1.5 0.5 0.5" -ddcsz "1.5 1.5 0.5 0.5">
>>
>> However I also tried with normalized subdomains
>>
>> 3. <mpiexec -n 64 mdrun_mpi -v -s -dlb no -dd "4 4 4" -ddcsx "0.375
>> 0.375 0.125 0.125" -ddcsy "0.375 0.375 0.125 0.125" -ddcsz "0.375
>> 0.375 0.125 0.125" >
>>
>> Failed...too many arguments in option -ddcsx.... etc
>>
>> I searched for a similar issue with documentation but could not find
>> it!
>>
>> Again thanks for a prompt reply!
>>
>> Best,
>>
>> Horacio.
>>
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