Task 38682687

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND0567_0
Workunit 31624284
Created 27 Oct 2026, 8:39:55 UTC
Sent 27 Oct 2026, 8:39:58 UTC
Report deadline 1 Nov 2026, 8:39:58 UTC
Received 27 Oct 2026, 9:48:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 21 min 29 sec
CPU time 20 min 29 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 755.26 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:27:22 (41876): wrapper (7.9.26016): starting
10:27:22 (41876): 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
10:27:23 (41876): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:27:23 (41876): 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
10:48:06 (41876): C:/Windows/system32/cmd.exe exited; CPU time 1229.640625
10:48:06 (41876): 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: 22759221 bytes.
Dumping objects ->
{3835248} normal block at 0x00000234A3578140, 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 0x00000234A1674700, 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 0x00000234A16744D0, 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 0x00000234A1674460, 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 0x00000234A1674770, 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 0x00000234A35265C0, 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 0x00000234A166F040, 8 bytes long.
 Data: <  &#175;&#161;4   > 00 00 AF A1 34 02 00 00 
{3833957} normal block at 0x00000234A166F540, 8 bytes long.
 Data: <p&#223;e&#161;4   > 70 DF 65 A1 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000234A1670550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000234A1665A40, 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 0x00000234A16756D0, 16 bytes long.
 Data: < Pg&#161;4           > 88 50 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000234A16755E0, 16 bytes long.
 Data: <`Pg&#161;4           > 60 50 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000234A166E690, 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 0x00000234A1675C70, 16 bytes long.
 Data: <8Pg&#161;4           > 38 50 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000234A1676080, 16 bytes long.
 Data: < Pg&#161;4           > 10 50 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000234A16751D0, 16 bytes long.
 Data: <&#232;Og&#161;4           > E8 4F 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000234A1675400, 16 bytes long.
 Data: <&#192;Og&#161;4           > C0 4F 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000234A1674540, 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 0x00000234A1675F40, 16 bytes long.
 Data: <&#216;&#135;f&#161;4           > D8 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000234A166EBD0, 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 0x00000234A1675270, 16 bytes long.
 Data: <&#176;&#135;f&#161;4           > B0 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000234A1675220, 16 bytes long.
 Data: < &#135;f&#161;4           > 88 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000234A1675310, 16 bytes long.
 Data: <`&#135;f&#161;4           > 60 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000234A1675860, 16 bytes long.
 Data: <8&#135;f&#161;4           > 38 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000234A1675810, 16 bytes long.
 Data: < &#135;f&#161;4           > 10 87 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000234A16752C0, 16 bytes long.
 Data: <&#232;&#134;f&#161;4           > E8 86 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000234A166EE70, 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 0x00000234A1675C20, 16 bytes long.
 Data: <&#192;&#134;f&#161;4           > C0 86 66 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000234A16686C0, 320 bytes long.
 Data: < \g&#161;4   p&#238;f&#161;4   > 20 5C 67 A1 34 02 00 00 70 EE 66 A1 34 02 00 00 
{274} normal block at 0x00000234A1675360, 16 bytes long.
 Data: <&#160;Og&#161;4           > A0 4F 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000234A1675A90, 16 bytes long.
 Data: <xOg&#161;4           > 78 4F 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000234A166EC30, 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 0x00000234A1675FE0, 16 bytes long.
 Data: <POg&#161;4           > 50 4F 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000234A166E270, 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 0x00000234A1676120, 16 bytes long.
 Data: < Ng&#161;4           > 98 4E 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000234A16760D0, 16 bytes long.
 Data: <pNg&#161;4           > 70 4E 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000234A1675770, 16 bytes long.
 Data: <HNg&#161;4           > 48 4E 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000234A1676030, 16 bytes long.
 Data: < Ng&#161;4           > 20 4E 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000234A16757C0, 16 bytes long.
 Data: <&#248;Mg&#161;4           > F8 4D 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000234A166FEF0, 16 bytes long.
 Data: <&#208;Mg&#161;4           > D0 4D 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000234A166FDB0, 16 bytes long.
 Data: <PHg&#161;4           > 50 48 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000234A1674850, 40 bytes long.
 Data: <&#176;&#253;f&#161;4   &#192;eR&#163;4   > B0 FD 66 A1 34 02 00 00 C0 65 52 A3 34 02 00 00 
{260} normal block at 0x00000234A166FD60, 16 bytes long.
 Data: <&#176;Mg&#161;4           > B0 4D 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000234A166FD10, 16 bytes long.
 Data: < Mg&#161;4           > 88 4D 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000234A166E210, 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 0x00000234A166FAE0, 16 bytes long.
 Data: <`Mg&#161;4           > 60 4D 67 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000234A1674D60, 992 bytes long.
 Data: <&#224;&#250;f&#161;4    &#226;f&#161;4   > E0 FA 66 A1 34 02 00 00 10 E2 66 A1 34 02 00 00 
{92} normal block at 0x00000234A166EF30, 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 0x00000234A166F720, 16 bytes long.
 Data: <P&#238;e&#161;4           > 50 EE 65 A1 34 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000234A165EE50, 40 bytes long.
 Data: < &#247;f&#161;4   0&#239;f&#161;4   > 20 F7 66 A1 34 02 00 00 30 EF 66 A1 34 02 00 00 
{69} normal block at 0x00000234A166F4A0, 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 0x00000234A166F3B0, 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 0x00000234A166F360, 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 0x00000234A166F6D0, 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 0x00000234A166FC20, 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 0x00000234A166F130, 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 0x00000234A166F450, 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 0x00000234A166F0E0, 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 0x00000234A166F4F0, 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 0x00000234A166F2C0, 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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