[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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