Task 38685057

Name test_105-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9917_0
Workunit 31626545
Created 27 Oct 2026, 19:10:39 UTC
Sent 27 Oct 2026, 19:10:41 UTC
Report deadline 1 Nov 2026, 19:10:41 UTC
Received 27 Oct 2026, 20:00:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 36 min 48 sec
CPU time 35 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.90 MB
Peak swap size 7.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:23:35 (33088): wrapper (7.9.26016): starting
20:23:35 (33088): 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
20:23:37 (33088): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:23:37 (33088): 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\3\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\3\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: Exiting with failure status due to previous errors
20:59:34 (33088): C:/Windows/system32/cmd.exe exited; CPU time 2157.109375
20:59:34 (33088): 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: 37047065 bytes.
Dumping objects ->
{3835244} normal block at 0x00000173E9496570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x00000173E9496880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000173E9496B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x00000173E9496EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x00000173E9496AB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x00000173E9497D70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x00000173EB11D6E0, 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) : {3835155} normal block at 0x00000173E9467590, 8 bytes long.
 Data: <  &#228;&#234;s   > 00 00 E4 EA 73 01 00 00 
{3834549} normal block at 0x00000173EB11E3F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000173E9467630, 8 bytes long.
 Data: <&#208;  &#235;s   > D0 10 04 EB 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000173E9471A60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000173E9467D90, 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 0x00000173E94731D0, 16 bytes long.
 Data: < @G&#233;s           > 98 40 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000173E9473130, 16 bytes long.
 Data: <p@G&#233;s           > 70 40 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000173E946BC10, 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 0x00000173E9473090, 16 bytes long.
 Data: <H@G&#233;s           > 48 40 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000173E9472FA0, 16 bytes long.
 Data: < @G&#233;s           > 20 40 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000173E94736D0, 16 bytes long.
 Data: <&#248;?G&#233;s           > F8 3F 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173E9473270, 16 bytes long.
 Data: <&#208;?G&#233;s           > D0 3F 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000173E946D8E0, 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 0x00000173E9473770, 16 bytes long.
 Data: <(&#193;E&#233;s           > 28 C1 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173E946B970, 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 0x00000173E9472F50, 16 bytes long.
 Data: < &#193;E&#233;s           > 00 C1 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000173E9472FF0, 16 bytes long.
 Data: <&#216;&#192;E&#233;s           > D8 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000173E9472EB0, 16 bytes long.
 Data: <&#176;&#192;E&#233;s           > B0 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000173E94734A0, 16 bytes long.
 Data: < &#192;E&#233;s           > 88 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000173E9472E60, 16 bytes long.
 Data: <`&#192;E&#233;s           > 60 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000173E9472D70, 16 bytes long.
 Data: <8&#192;E&#233;s           > 38 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173E946BB50, 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 0x00000173E9473400, 16 bytes long.
 Data: < &#192;E&#233;s           > 10 C0 45 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173E945C010, 320 bytes long.
 Data: < 4G&#233;s   P&#187;F&#233;s   > 00 34 47 E9 73 01 00 00 50 BB 46 E9 73 01 00 00 
{278} normal block at 0x00000173E94733B0, 16 bytes long.
 Data: <&#176;?G&#233;s           > B0 3F 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173E9472CD0, 16 bytes long.
 Data: < ?G&#233;s           > 88 3F 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000173E946BBB0, 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 0x00000173E9472AA0, 16 bytes long.
 Data: <`?G&#233;s           > 60 3F 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000173E946C330, 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 0x00000173E9473680, 16 bytes long.
 Data: <&#168;>G&#233;s           > A8 3E 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173E9473360, 16 bytes long.
 Data: < >G&#233;s           > 80 3E 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000173E9472A50, 16 bytes long.
 Data: <X>G&#233;s           > 58 3E 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000173E9472A00, 16 bytes long.
 Data: <0>G&#233;s           > 30 3E 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000173E9472C30, 16 bytes long.
 Data: < >G&#233;s           > 08 3E 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000173E9473450, 16 bytes long.
 Data: <&#224;=G&#233;s           > E0 3D 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173E94729B0, 16 bytes long.
 Data: < &#222;F&#233;s           > 20 DE 46 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000173E946DE20, 40 bytes long.
 Data: <&#176;)G&#233;s   p}I&#233;s   > B0 29 47 E9 73 01 00 00 70 7D 49 E9 73 01 00 00 
{264} normal block at 0x00000173E9473630, 16 bytes long.
 Data: <&#192;=G&#233;s           > C0 3D 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173E9472B90, 16 bytes long.
 Data: < =G&#233;s           > 98 3D 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000173E946C390, 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 0x00000173E9473180, 16 bytes long.
 Data: <p=G&#233;s           > 70 3D 47 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000173E9473D70, 992 bytes long.
 Data: < 1G&#233;s    &#195;F&#233;s   > 80 31 47 E9 73 01 00 00 90 C3 46 E9 73 01 00 00 
{96} normal block at 0x00000173E946C510, 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 0x00000173E94676D0, 16 bytes long.
 Data: < &#216;F&#233;s           > 00 D8 46 E9 73 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000173E946D800, 40 bytes long.
 Data: <&#208;vF&#233;s    &#197;F&#233;s   > D0 76 46 E9 73 01 00 00 10 C5 46 E9 73 01 00 00 
{73} normal block at 0x00000173E9466870, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000173E94669B0, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000173E9467040, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000173E9466F50, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000173E9466C80, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000173E94672C0, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000173E9466FA0, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000173E9467400, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000173E94671D0, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173E9466D20, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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