Task 38683797

Name test_397-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND3663_0
Workunit 31625342
Created 27 Oct 2026, 13:21:07 UTC
Sent 27 Oct 2026, 13:21:09 UTC
Report deadline 1 Nov 2026, 13:21:09 UTC
Received 27 Oct 2026, 13:53:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 25 min
CPU time 25 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.65 MB
Peak swap size 11.53 GB
Peak disk usage 4.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:26:22 (12932): wrapper (7.9.26016): starting
14:26:22 (12932): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:26:23 (12932): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:26:23 (12932): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\26\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\26\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:53:07 (12932): C:/Windows/system32/cmd.exe exited; CPU time 1500.171875
14:53:07 (12932): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 36119923 bytes.
Dumping objects ->
{3835281} normal block at 0x0000011274E7AA80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x0000011274E7B570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000011274E7B5E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x00000112730E2DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000112730E2D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x0000011274EC6BA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000011274EDCFD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835192} normal block at 0x00000112730DE370, 8 bytes long.
 Data: <  Ns    > 00 00 4E 73 12 01 00 00 
{3834568} normal block at 0x0000011274EDD290, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000112730DE690, 8 bytes long.
 Data: <&#240;&#219; s    > F0 DB 0C 73 12 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000112730D6C80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000112730D7640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000112730E3790, 16 bytes long.
 Data: <&#184;J s            > B8 4A 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000112730E33D0, 16 bytes long.
 Data: < J s            > 90 4A 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000112730DF900, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000112730E4050, 16 bytes long.
 Data: <hJ s            > 68 4A 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000112730E3BA0, 16 bytes long.
 Data: <@J s            > 40 4A 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000112730E3510, 16 bytes long.
 Data: < J s            > 18 4A 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000112730E3E20, 16 bytes long.
 Data: <&#240;I s            > F0 49 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000112730E2E60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000112730E3FB0, 16 bytes long.
 Data: <&#216;&#242; s            > D8 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000112730DF060, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000112730E3DD0, 16 bytes long.
 Data: <&#176;&#242; s            > B0 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000112730E3830, 16 bytes long.
 Data: < &#242; s            > 88 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000112730E3C90, 16 bytes long.
 Data: <`&#242; s            > 60 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000112730E3F10, 16 bytes long.
 Data: <8&#242; s            > 38 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000112730E3AB0, 16 bytes long.
 Data: < &#242; s            > 10 F2 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000112730E41E0, 16 bytes long.
 Data: <&#232;&#241; s            > E8 F1 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000112730DF540, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000112730E37E0, 16 bytes long.
 Data: <&#192;&#241; s            > C0 F1 0C 73 12 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000112730CF1C0, 320 bytes long.
 Data: <&#224;7 s    @&#245; s    > E0 37 0E 73 12 01 00 00 40 F5 0D 73 12 01 00 00 
{277} normal block at 0x00000112730E3A60, 16 bytes long.
 Data: <&#208;I s            > D0 49 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000112730E3970, 16 bytes long.
 Data: <&#168;I s            > A8 49 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000112730DF720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000112730E3B50, 16 bytes long.
 Data: < I s            > 80 49 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000112730DF840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000112730E4190, 16 bytes long.
 Data: <&#200;H s            > C8 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000112730E3F60, 16 bytes long.
 Data: <&#160;H s            > A0 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000112730E38D0, 16 bytes long.
 Data: <xH s            > 78 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000112730E40F0, 16 bytes long.
 Data: <PH s            > 50 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000112730E3EC0, 16 bytes long.
 Data: <(H s            > 28 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000112730E36F0, 16 bytes long.
 Data: < H s            > 00 48 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000112730E3D80, 16 bytes long.
 Data: < 0 s            > 20 30 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000112730E3020, 40 bytes long.
 Data: < = s    &#160;k&#236;t    > 80 3D 0E 73 12 01 00 00 A0 6B EC 74 12 01 00 00 
{263} normal block at 0x00000112730E3920, 16 bytes long.
 Data: <&#224;G s            > E0 47 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000112730E3C40, 16 bytes long.
 Data: <&#184;G s            > B8 47 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000112730DF1E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000112730E3CE0, 16 bytes long.
 Data: < G s            > 90 47 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000112730E4790, 992 bytes long.
 Data: <&#224;< s    &#224;&#241; s    > E0 3C 0E 73 12 01 00 00 E0 F1 0D 73 12 01 00 00 
{95} normal block at 0x00000112730DF000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000112730DE8C0, 16 bytes long.
 Data: <0, s            > 30 2C 0E 73 12 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000112730E2C30, 40 bytes long.
 Data: <&#192;&#232; s     &#240; s    > C0 E8 0D 73 12 01 00 00 00 F0 0D 73 12 01 00 00 
{72} normal block at 0x00000112730DDF10, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000112730DEAF0, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000112730DE410, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000112730DEA00, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000112730DE1E0, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000112730DE780, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000112730DE4B0, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000112730DE320, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000112730DDCE0, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000112730DDE20, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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