Task 38687414

Name test_209-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND5102_0
Workunit 31628805
Created 28 Oct 2026, 7:41:13 UTC
Sent 28 Oct 2026, 7:41:14 UTC
Report deadline 2 Nov 2026, 7:41:14 UTC
Received 28 Oct 2026, 8:37:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 15 sec
CPU time 17 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.89 MB
Peak swap size 19.21 GB
Peak disk usage 3.39 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:19:15 (25120): wrapper (7.9.26016): starting
09:19:15 (25120): 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
09:19:16 (25120): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:19:16 (25120): 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\9\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\9\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
09:36:45 (25120): C:/Windows/system32/cmd.exe exited; CPU time 1058.687500
09:36:45 (25120): 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: 19109443 bytes.
Dumping objects ->
{3835248} normal block at 0x00000257077D6DD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000257058A65A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000257058A6370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000257058A6300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000257058A66F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x000002570774B6C0, 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) : {3835160} normal block at 0x000002570589F6D0, 8 bytes long.
 Data: <  &#213; W   > 00 00 D5 05 57 02 00 00 
{3833957} normal block at 0x000002570589F680, 8 bytes long.
 Data: <p&#223;  W   > 70 DF 88 05 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000257058A0410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025705895650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000257058A7200, 16 bytes long.
 Data: <&#248;l&#138; W           > F8 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000257058A7390, 16 bytes long.
 Data: <&#208;l&#138; W           > D0 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002570589EAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000257058A7160, 16 bytes long.
 Data: <&#168;l&#138; W           > A8 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000257058A7980, 16 bytes long.
 Data: < l&#138; W           > 80 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000257058A7A20, 16 bytes long.
 Data: <Xl&#138; W           > 58 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000257058A7C50, 16 bytes long.
 Data: <0l&#138; W           > 30 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000257058A63E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000257058A7110, 16 bytes long.
 Data: <&#216;&#135;&#137; W           > D8 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002570589EED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000257058A6E40, 16 bytes long.
 Data: <&#176;&#135;&#137; W           > B0 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000257058A72A0, 16 bytes long.
 Data: < &#135;&#137; W           > 88 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000257058A75C0, 16 bytes long.
 Data: <`&#135;&#137; W           > 60 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000257058A7890, 16 bytes long.
 Data: <8&#135;&#137; W           > 38 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000257058A7250, 16 bytes long.
 Data: < &#135;&#137; W           > 10 87 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000257058A7840, 16 bytes long.
 Data: <&#232;&#134;&#137; W           > E8 86 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002570589EDB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000257058A7930, 16 bytes long.
 Data: <&#192;&#134;&#137; W           > C0 86 89 05 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000257058986C0, 320 bytes long.
 Data: <0y&#138; W   &#176;&#237;&#137; W   > 30 79 8A 05 57 02 00 00 B0 ED 89 05 57 02 00 00 
{274} normal block at 0x00000257058A70C0, 16 bytes long.
 Data: < l&#138; W           > 10 6C 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000257058A74D0, 16 bytes long.
 Data: <&#232;k&#138; W           > E8 6B 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002570589E8D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000257058A7700, 16 bytes long.
 Data: <&#192;k&#138; W           > C0 6B 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002570589EE70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000257058A77A0, 16 bytes long.
 Data: < k&#138; W           > 08 6B 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000257058A7750, 16 bytes long.
 Data: <&#224;j&#138; W           > E0 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000257058A7CA0, 16 bytes long.
 Data: <&#184;j&#138; W           > B8 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000257058A7CF0, 16 bytes long.
 Data: < j&#138; W           > 90 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000257058A77F0, 16 bytes long.
 Data: <hj&#138; W           > 68 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002570589F590, 16 bytes long.
 Data: <@j&#138; W           > 40 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002570589F770, 16 bytes long.
 Data: <``&#138; W           > 60 60 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000257058A6060, 40 bytes long.
 Data: <p&#247;&#137; W   &#192;&#182;t W   > 70 F7 89 05 57 02 00 00 C0 B6 74 07 57 02 00 00 
{260} normal block at 0x000002570589F860, 16 bytes long.
 Data: < j&#138; W           > 20 6A 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002570589F450, 16 bytes long.
 Data: <&#248;i&#138; W           > F8 69 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002570589E0F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002570589F2C0, 16 bytes long.
 Data: <&#208;i&#138; W           > D0 69 8A 05 57 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000257058A69D0, 992 bytes long.
 Data: <&#192;&#242;&#137; W   &#240;&#224;&#137; W   > C0 F2 89 05 57 02 00 00 F0 E0 89 05 57 02 00 00 
{92} normal block at 0x000002570589E330, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002570589F400, 16 bytes long.
 Data: <P&#238;  W           > 50 EE 88 05 57 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002570588EE50, 40 bytes long.
 Data: < &#244;&#137; W   0&#227;&#137; W   > 00 F4 89 05 57 02 00 00 30 E3 89 05 57 02 00 00 
{69} normal block at 0x000002570589F630, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002570589F360, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002570589F3B0, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002570589FC20, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002570589F090, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002570589F720, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002570589FA40, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002570589FF40, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002570589FB30, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002570589F9F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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