[CP2K:820] Re: parallel distribution of data

[Nichols A. Romero]

Let me know what you find. It could be false positive as you said.

On Thu, Mar 13, 2008 at 5:56 PM, Teodoro Laino <teodor... at gmail.com>
wrote:

> 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)
>
>
>
>
> >
>


-- 
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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