[gmx-developers] using -ddcsx/y/z with and without DLB

[Berk Hess]

Hi,

Then the issue is the opposite: -ddcsx is a string option and I assume 
you did not use quotes for that.

PS This is a user, not a developer question.

Berk

On 2016-10-26 11:30, vargas wrote:
> 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.
>>>