Let me know what you find. It could be false positive as you said.<br><br><div class="gmail_quote">On Thu, Mar 13, 2008 at 5:56 PM, Teodoro Laino <<a href="mailto:teodor...@gmail.com">teodor...@gmail.com</a>> wrote:<br> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div style=""> Nick,<div><br></div><div>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?</div><div>I wouldn't be surprised that the whole story here will end with a bug report for the TAU guys ! ;-)</div> <div><br></div><div>Teo</div><div><div></div><div class="Wj3C7c"><div><br><div><div>On 13 Mar 2008, at 22:53, Nichols A. Romero wrote:</div><br><blockquote type="cite">Matt,<br><br>One of the people in our group profiled CP2K with the TAU to look for memory leaks.<br> <a href="http://www.cs.uoregon.edu/research/tau/home.php" target="_blank">http://www.cs.uoregon.edu/research/tau/home.php</a><br><br>A number of them were found and some of them might be related to the parallel<br> distribution algorithm. I can send you the .ppk so you can read the profile file in<br> more detail. The viewer is free.<br><br><div dir="ltr" align="left"><span><font color="#0000ff" face="Courier">The attached profile shows some memory leaks, specifically in distribution_methods.f90 and memory_utilities.f90, but there are others.</font></span></div> <div dir="ltr" align="left"><span></span> </div> <div dir="ltr" align="left"><span><font color="#0000ff" face="Courier">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}] </font></span></div> <span><font color="#0000ff" face="Courier"> </font><div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> <div dir="ltr" align="left"><font color="#0000ff" face="Courier"><br>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}] </font></div> </span><br><div class="gmail_quote">On Tue, Mar 11, 2008 at 5:18 PM, Matt W <<a href="mailto:MattWa...@gmail.com" target="_blank">MattWa...@gmail.com</a>> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"> <br> No, thankfully it's not related. Looks like another overflow<br> though...thanks for pushing things!<br> <br> Matt<br> <div><br> On Mar 11, 9:03 pm, "Nichols A. Romero" <<a href="mailto:naro...@gmail.com" target="_blank">naro...@gmail.com</a>> wrote:<br> > Guys,<br> ><br> > This might be related.<br> ><br> > I just tried H2O-8192.inp on 512 & 1024 cores and I received the error<br> > below.<br> ><br> > BTW, I don't have this problem with the H2O-4096.inp<br> ><br> > *<br> > *** ERROR in distribute_molecules_2d (MODULE distribution_methods) ***<br> > *<br> ><br> > *** The memory allocation for the data object <cost_ele_pair> failed. The<br> > ***<br> > *** requested memory size is -1835008 Kbytes<br> > ***<br> ><br> > *** Program stopped at line number 570 of MODULE distribution_methods ***<br> ><br> > *<br> > *** ERROR in distribute_molecules_2d (MODULE distribution_methods) ***<br> > *<br> ><br> > *** The memory allocation for the data object <cost_ele_pair> failed. The<br> > ***<br> > *** requested memory size is -1835008 Kbytes<br> > ***<br> ><br> </div>> On Tue, Mar 11, 2008 at 10:14 AM, Nichols A. Romero <<a href="mailto:naro...@gmail.com" target="_blank">naro...@gmail.com</a>><br> <div>> wrote:<br> ><br> ><br> ><br> > > So can I. I am running that and some larger systems.<br> ><br> > > Many thanks to Matt!<br> ><br> </div><div>> > On 3/11/08, Teodoro Laino <<a href="mailto:teodor...@gmail.com" target="_blank">teodor...@gmail.com</a>> wrote:<br> ><br> > > > I can confirm that with this bug-fix H2O-2048 is running nicely.<br> ><br> > > > teo<br> ><br> > > > On 11 Mar 2008, at 12:09, Matt W wrote:<br> ><br> > > > (not well tested though).<br> ><br> > > --<br> </div><div>> > Nichols A. Romero, Ph.D.<br> > > DoD User Productivity Enhancement and Technology Transfer (PET) Group<br> > > High Performance Technologies, Inc.<br> > > Reston, VA<br> > > 443-567-8328 (C)<br> > > 410-278-2692 (O)<br> ><br> > --<br> > Nichols A. Romero, Ph.D.<br> > DoD User Productivity Enhancement and Technology Transfer (PET) Group<br> > High Performance Technologies, Inc.<br> > Reston, VA<br> > 443-567-8328 (C)<br> > 410-278-2692 (O)<br> </div><div><div></div><div><br> </div></div></blockquote></div><br><br clear="all"><br>-- <br>Nichols A. Romero, Ph.D.<br>DoD User Productivity Enhancement and Technology Transfer (PET) Group<br> High Performance Technologies, Inc.<br>Reston, VA<br>443-567-8328 (C)<br> 410-278-2692 (O)<br> <br> <br></blockquote></div><br></div><br> </div></div></div><br> </blockquote></div><br><br clear="all"><br>-- <br>Nichols A. Romero, Ph.D.<br>DoD User Productivity Enhancement and Technology Transfer (PET) Group<br>High Performance Technologies, Inc.<br>Reston, VA<br>443-567-8328 (C)<br> 410-278-2692 (O)