[CP2K:819] Re: parallel distribution of data

Teodoro Laino teodor... at gmail.com
Thu Mar 13 21:56:51 UTC 2008
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Nick,

I doubt all of these are real memory leaks.. We check it carefully..  
can you please post as well the input this guy used to generate the  
report?
I wouldn't be surprised that the whole story here will end with a bug  
report for the TAU guys ! ;-)

Teo

On 13 Mar 2008, at 22:53, Nichols A. Romero wrote:

> Matt,
>
> One of the people in our group profiled CP2K with the TAU to look  
> for memory leaks.
> http://www.cs.uoregon.edu/research/tau/home.php
>
> A number of them were found and some of them might be related to  
> the parallel
> distribution algorithm. I can send you the .ppk so you can read the  
> profile file in
> more detail. The viewer is free.
>
> The attached profile shows some memory leaks, specifically in  
> distribution_methods.f90 and memory_utilities.f90, but there are  
> others.
>
> MEMORY LEAK! malloc size <file=cube_utils.pp.f90, variable=info% 
> sphere_bounds(i)%p, line=278> : PW_ENV_METHODS::PW_ENV_REBUILD  
> [{pw_env_methods.pp.f90} {177,12}]   => CUBE_UTILS::INIT_CUBE_INFO  
> [{cube_utils.pp.f90} {206,14}]
>
> MEMORY LEAK! malloc size <file=distribution_methods.pp.f90,  
> variable=nsgf, line=885> :  
> DISTRIBUTION_METHODS::DISTRIBUTE_MOLECULES_2D  
> [{distribution_methods.pp.f90} {472,14}]   =>  
> DISTRIBUTION_METHODS::DISTRIBUTE_2D_COST_MODEL  
> [{distribution_methods.pp.f90} {809,14}]
>
> MEMORY LEAK! malloc size <file=distribution_optimize.pp.f90,  
> variable=cost_cpu, line=165> :  
> DISTRIBUTION_METHODS::DISTRIBUTE_MOLECULES_2D  
> [{distribution_methods.pp.f90} {472,14}]   =>  
> DISTRIBUTION_OPTIMIZE::DISTRIBUTE_2D_MONTE_CARLO  
> [{distribution_optimize.pp.f90} {101,14}]
>
> MEMORY LEAK! malloc size <file=distribution_optimize.pp.f90,  
> variable=max_cost_para, line=271> :  
> DISTRIBUTION_METHODS::DISTRIBUTE_MOLECULES_2D  
> [{distribution_methods.pp.f90} {472,14}]   =>  
> DISTRIBUTION_OPTIMIZE::DISTRIBUTE_2D_MONTE_CARLO  
> [{distribution_optimize.pp.f90} {101,14}]
>
> MEMORY LEAK! malloc size <file=f77_interface.pp.f90,  
> variable=f_envs, line=249> : CP2K [{cp2k.pp.f90} {38,9}]   =>  
> F77_INTERFACE::INIT_CP2K [{f77_interface.pp.f90} {208,14}]
>
> MEMORY LEAK! malloc size <file=input_section_types.pp.f90,  
> variable=section%subsections, line=248> :  
> INPUT_CP2K::CREATE_CP2K_ROOT_SECTION [{input_cp2k.pp.f90}  
> {142,14}]   => INPUT_SECTION_TYPES::SECTION_CREATE  
> [{input_section_types.pp.f90} {186,14}]
>
> MEMORY LEAK! malloc size <file=memory_utilities.pp.f90, variable=p,  
> line=291> : ATOMS_INPUT::READ_ATOMS_INPUT [{atoms_input.pp.f90}  
> {99,14}]   => MEMORY_UTILITIES::REALLOCATE_I1  
> [{memory_utilities.pp.f90} {265,14}]
>
> MEMORY LEAK! malloc size <file=memory_utilities.pp.f90, variable=p,  
> line=704> : BASIS_SET_TYPES::READ_GTO_BASIS_SET  
> [{basis_set_types.pp.f90} {800,14}]   =>  
> MEMORY_UTILITIES::REALLOCATE_R3 [{memory_utilities.pp.f90} {672,14}]
>
> MEMORY LEAK! malloc size <file=qs_neighbor_lists.pp.f90,  
> variable=aux_present, line=335> : QS_ENERGY::QS_ENERGIES  
> [{qs_energy.pp.f90} {103,14}]   =>  
> QS_NEIGHBOR_LISTS::BUILD_QS_NEIGHBOR_LISTS  
> [{qs_neighbor_lists.pp.f90} {172,14}]
>
> MEMORY LEAK! malloc size <file=realspace_grid_types.pp.f90,  
> variable=bounds , line=1136> : REALSPACE_GRID_TYPES::RS_PW_TRANSFER  
> [{realspace_grid_types.pp.f90} {550,14}]   =>  
> REALSPACE_GRID_TYPES::RS_PW_TRANSFER_DISTRIBUTED  
> [{realspace_grid_types.pp.f90} {749,14}]
>
> MEMORY LEAK! malloc size <file=realspace_grid_types.pp.f90,  
> variable=bounds , line=956> : REALSPACE_GRID_TYPES::RS_PW_TRANSFER  
> [{realspace_grid_types.pp.f90} {550,14}]   =>  
> REALSPACE_GRID_TYPES::RS_PW_TRANSFER_DISTRIBUTED  
> [{realspace_grid_types.pp.f90} {749,14}]
>
> MEMORY LEAK! malloc size <file=reference_manager.pp.f90,  
> variable=indx, line=210> : ENVIRONMENT::CP2K_FINALIZE  
> [{environment.pp.f90} {764,14}]   =>  
> REFERENCE_MANAGER::PRINT_ALL_REFERENCES [{reference_manager.pp.f90}  
> {190,14}]
>
> MEMORY LEAK! malloc size <file=reference_manager.pp.f90,  
> variable=irank, line=209> : ENVIRONMENT::CP2K_FINALIZE  
> [{environment.pp.f90} {764,14}]   =>  
> REFERENCE_MANAGER::PRINT_ALL_REFERENCES [{reference_manager.pp.f90}  
> {190,14}]
>
> MEMORY LEAK! malloc size <file=reference_manager.pp.f90,  
> variable=ival, line=208> : ENVIRONMENT::CP2K_FINALIZE  
> [{environment.pp.f90} {764,14}]   =>  
> REFERENCE_MANAGER::PRINT_ALL_REFERENCES [{reference_manager.pp.f90}  
> {190,14}]
>
> MEMORY LEAK! malloc size <file=topology_generate_util.pp.f90,  
> variable=h_list, line=519> : TOPOLOGY::CONNECTIVITY_CONTROL  
> [{topology.pp.f90} {312,14}]   =>  
> TOPOLOGY_GENERATE_UTIL::TOPOLOGY_GENERATE_BOND  
> [{topology_generate_util.pp.f90} {437,14}]
>
> On Tue, Mar 11, 2008 at 5:18 PM, Matt W <MattWa... at gmail.com>  
> wrote:
>
> No, thankfully it's not related.  Looks like another overflow
> though...thanks for pushing things!
>
> Matt
>
> On Mar 11, 9:03 pm, "Nichols A. Romero" <naro... at gmail.com> wrote:
> > Guys,
> >
> > This might be related.
> >
> > I just tried H2O-8192.inp on 512 & 1024 cores and I received the  
> error
> > below.
> >
> > BTW, I don't have this problem with the H2O-4096.inp
> >
> > *
> >  *** ERROR in distribute_molecules_2d (MODULE  
> distribution_methods)  ***
> >  *
> >
> >  *** The memory allocation for the data object <cost_ele_pair>  
> failed. The
> > ***
> >  *** requested memory size is -1835008 Kbytes
> > ***
> >
> >  *** Program stopped at line number 570 of MODULE  
> distribution_methods  ***
> >
> >  *
> >  *** ERROR in distribute_molecules_2d (MODULE  
> distribution_methods)  ***
> >  *
> >
> >  *** The memory allocation for the data object <cost_ele_pair>  
> failed. The
> > ***
> >  *** requested memory size is -1835008 Kbytes
> > ***
> >
> > On Tue, Mar 11, 2008 at 10:14 AM, Nichols A. Romero  
> <naro... at gmail.com>
> > wrote:
> >
> >
> >
> > > So can I. I am running that and some larger systems.
> >
> > > Many thanks to Matt!
> >
> > > On 3/11/08, Teodoro Laino <teodor... at gmail.com> wrote:
> >
> > > > I can confirm that with this bug-fix H2O-2048 is running nicely.
> >
> > > > teo
> >
> > > >  On 11 Mar 2008, at 12:09, Matt W wrote:
> >
> > > >  (not well tested though).
> >
> > > --
> > > Nichols A. Romero, Ph.D.
> > > DoD User Productivity Enhancement and Technology Transfer (PET)  
> Group
> > > High Performance Technologies, Inc.
> > > Reston, VA
> > > 443-567-8328 (C)
> > > 410-278-2692 (O)
> >
> > --
> > Nichols A. Romero, Ph.D.
> > DoD User Productivity Enhancement and Technology Transfer (PET)  
> Group
> > High Performance Technologies, Inc.
> > Reston, VA
> > 443-567-8328 (C)
> > 410-278-2692 (O)
>
>
>
>
> -- 
> Nichols A. Romero, Ph.D.
> DoD User Productivity Enhancement and Technology Transfer (PET) Group
> High Performance Technologies, Inc.
> Reston, VA
> 443-567-8328 (C)
> 410-278-2692 (O)
> >

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