Task 38670771

Name test_961-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2297_0
Workunit 31612999
Created 25 Oct 2026, 18:33:28 UTC
Sent 25 Oct 2026, 18:33:30 UTC
Report deadline 30 Oct 2026, 18:33:30 UTC
Received 25 Oct 2026, 18:55:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 19 min 20 sec
CPU time 18 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.61 MB
Peak swap size 12.98 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:36:47 (12148): wrapper (7.9.26016): starting
19:36:47 (12148): 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
19:36:48 (12148): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:36:48 (12148): 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\1\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\1\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
19:55:29 (12148): C:/Windows/system32/cmd.exe exited; CPU time 1112.437500
19:55:29 (12148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 17144859 bytes.
Dumping objects ->
{3835247} normal block at 0x000002ACBB4C5770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000002ACBB4C5700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000002ACBB4C5690, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000002ACBB4C54D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000002ACBB4C5460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000002ACBD397330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x000002ACBB4BDFD0, 8 bytes long.
 Data: <  &#174;&#187;&#172;   > 00 00 AE BB AC 02 00 00 
{3833965} normal block at 0x000002ACBB4BDB70, 8 bytes long.
 Data: <@&#241;J&#187;&#172;   > 40 F1 4A BB AC 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002ACBB4C2B10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002ACBB4B7410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002ACBB4C6000, 16 bytes long.
 Data: <&#232;rL&#187;&#172;           > E8 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002ACBB4C6C80, 16 bytes long.
 Data: <&#192;rL&#187;&#172;           > C0 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002ACBB4C03C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002ACBB4C63C0, 16 bytes long.
 Data: < rL&#187;&#172;           > 98 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002ACBB4C6370, 16 bytes long.
 Data: <prL&#187;&#172;           > 70 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002ACBB4C6190, 16 bytes long.
 Data: <HrL&#187;&#172;           > 48 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ACBB4C6500, 16 bytes long.
 Data: < rL&#187;&#172;           > 20 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002ACBB4C58C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002ACBB4C6140, 16 bytes long.
 Data: <  J&#187;&#172;           > 18 BD 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ACBB4C0180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002ACBB4C6AA0, 16 bytes long.
 Data: <&#240;&#188;J&#187;&#172;           > F0 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002ACBB4C6E10, 16 bytes long.
 Data: <&#200;&#188;J&#187;&#172;           > C8 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002ACBB4C6B90, 16 bytes long.
 Data: <&#160;&#188;J&#187;&#172;           > A0 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002ACBB4C6320, 16 bytes long.
 Data: <x&#188;J&#187;&#172;           > 78 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002ACBB4C6230, 16 bytes long.
 Data: <P&#188;J&#187;&#172;           > 50 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ACBB4C6A50, 16 bytes long.
 Data: <(&#188;J&#187;&#172;           > 28 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ACBB4C04E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002ACBB4C66E0, 16 bytes long.
 Data: < &#188;J&#187;&#172;           > 00 BC 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ACBB4ABC00, 320 bytes long.
 Data: <&#224;fL&#187;&#172;   &#224; L&#187;&#172;   > E0 66 4C BB AC 02 00 00 E0 04 4C BB AC 02 00 00 
{278} normal block at 0x000002ACBB4C65F0, 16 bytes long.
 Data: < rL&#187;&#172;           > 00 72 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ACBB4C6A00, 16 bytes long.
 Data: <&#216;qL&#187;&#172;           > D8 71 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002ACBB4C02A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002ACBB4C67D0, 16 bytes long.
 Data: <&#176;qL&#187;&#172;           > B0 71 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002ACBB4C06C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002ACBB4C6910, 16 bytes long.
 Data: <&#248;pL&#187;&#172;           > F8 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ACBB4C6D20, 16 bytes long.
 Data: <&#208;pL&#187;&#172;           > D0 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002ACBB4C60F0, 16 bytes long.
 Data: <&#168;pL&#187;&#172;           > A8 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ACBB4C6280, 16 bytes long.
 Data: < pL&#187;&#172;           > 80 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002ACBB4C6BE0, 16 bytes long.
 Data: <XpL&#187;&#172;           > 58 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ACBB4C61E0, 16 bytes long.
 Data: <0pL&#187;&#172;           > 30 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ACBB4C68C0, 16 bytes long.
 Data: <@UL&#187;&#172;           > 40 55 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ACBB4C5540, 40 bytes long.
 Data: <&#192;hL&#187;&#172;   0s9 &#172;   > C0 68 4C BB AC 02 00 00 30 73 39 BD AC 02 00 00 
{264} normal block at 0x000002ACBB4C6B40, 16 bytes long.
 Data: < pL&#187;&#172;           > 10 70 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002ACBB4C6C30, 16 bytes long.
 Data: <&#232;oL&#187;&#172;           > E8 6F 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002ACBB4C0540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002ACBB4C69B0, 16 bytes long.
 Data: <&#192;oL&#187;&#172;           > C0 6F 4C BB AC 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002ACBB4C6FC0, 992 bytes long.
 Data: <&#176;iL&#187;&#172;   @ L&#187;&#172;   > B0 69 4C BB AC 02 00 00 40 05 4C BB AC 02 00 00 
{96} normal block at 0x000002ACBB4BFD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002ACBB4BE750, 16 bytes long.
 Data: < &#201;J&#187;&#172;           > 00 C9 4A BB AC 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002ACBB4AC900, 40 bytes long.
 Data: <P&#231;K&#187;&#172;    &#253;K&#187;&#172;   > 50 E7 4B BB AC 02 00 00 00 FD 4B BB AC 02 00 00 
{73} normal block at 0x000002ACBB4BDD50, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002ACBB4BDA30, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002ACBB4BDBC0, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002ACBB4BDE40, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002ACBB4BE930, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ACBB4BE020, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ACBB4BDC60, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ACBB4BDAD0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ACBB4BE4D0, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ACBB4BE660, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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