Task 38667915

Name test_570-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5298_0
Workunit 31610492
Created 25 Oct 2026, 9:55:36 UTC
Sent 25 Oct 2026, 9:55:44 UTC
Report deadline 30 Oct 2026, 9:55:44 UTC
Received 25 Oct 2026, 10:34:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 27 min 52 sec
CPU time 26 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.21 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:06:54 (21984): wrapper (7.9.26016): starting
05:06:54 (21984): 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
05:06:55 (21984): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:06:55 (21984): 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\0\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\0\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
05:33:58 (21984): C:/Windows/system32/cmd.exe exited; CPU time 1587.593750
05:33:58 (21984): 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: 42651271 bytes.
Dumping objects ->
{3835258} normal block at 0x0000018C1EADD250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x0000018C1CCB4CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000018C1CCB4D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x0000018C1CCB4B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000018C1CCB4BC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x0000018C1EB2AAA0, 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) : {3835170} normal block at 0x0000018C1CCAF590, 8 bytes long.
 Data: <  &#197; &#140;   > 00 00 C5 1C 8C 01 00 00 
{3833959} normal block at 0x0000018C1CCAF040, 8 bytes long.
 Data: <`&#227;&#163; &#140;   > 60 E3 A3 1E 8C 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000018C1CCB0840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018C1CCA6890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000018C1CCB5AD0, 16 bytes long.
 Data: <&#248;W&#203; &#140;           > F8 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018C1CCB6070, 16 bytes long.
 Data: <&#208;W&#203; &#140;           > D0 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018C1CCAFE90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000018C1CCB6020, 16 bytes long.
 Data: <&#168;W&#203; &#140;           > A8 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018C1CCB64D0, 16 bytes long.
 Data: < W&#203; &#140;           > 80 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018C1CCB6430, 16 bytes long.
 Data: <XW&#203; &#140;           > 58 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018C1CCB65C0, 16 bytes long.
 Data: <0W&#203; &#140;           > 30 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018C1CCB4A00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000018C1CCB5E90, 16 bytes long.
 Data: <&#232; &#202; &#140;           > E8 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018C1CCB03D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000018C1CCB6480, 16 bytes long.
 Data: <&#192; &#202; &#140;           > C0 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018C1CCB63E0, 16 bytes long.
 Data: <  &#202; &#140;           > 98 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018C1CCB5990, 16 bytes long.
 Data: <p &#202; &#140;           > 70 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018C1CCB6390, 16 bytes long.
 Data: <H &#202; &#140;           > 48 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018C1CCB5E40, 16 bytes long.
 Data: <  &#202; &#140;           > 20 90 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018C1CCB5DF0, 16 bytes long.
 Data: <&#248; &#202; &#140;           > F8 8F CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018C1CCB0310, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000018C1CCB66B0, 16 bytes long.
 Data: <&#208; &#202; &#140;           > D0 8F CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018C1CCA8FD0, 320 bytes long.
 Data: <&#176;f&#203; &#140;     &#203; &#140;   > B0 66 CB 1C 8C 01 00 00 10 03 CB 1C 8C 01 00 00 
{275} normal block at 0x0000018C1CCB6660, 16 bytes long.
 Data: < W&#203; &#140;           > 10 57 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018C1CCB5C60, 16 bytes long.
 Data: <&#232;V&#203; &#140;           > E8 56 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018C1CCAF8F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000018C1CCB5940, 16 bytes long.
 Data: <&#192;V&#203; &#140;           > C0 56 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018C1CCAFD70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000018C1CCB6340, 16 bytes long.
 Data: < V&#203; &#140;           > 08 56 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018C1CCB6750, 16 bytes long.
 Data: <&#224;U&#203; &#140;           > E0 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018C1CCB5A80, 16 bytes long.
 Data: <&#184;U&#203; &#140;           > B8 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018C1CCB6840, 16 bytes long.
 Data: < U&#203; &#140;           > 90 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018C1CCB6890, 16 bytes long.
 Data: <hU&#203; &#140;           > 68 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018C1CCAEF00, 16 bytes long.
 Data: <@U&#203; &#140;           > 40 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018C1CCAEB40, 16 bytes long.
 Data: <&#224;J&#203; &#140;           > E0 4A CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018C1CCB4AE0, 40 bytes long.
 Data: <@&#235;&#202; &#140;   &#160;&#170;&#178; &#140;   > 40 EB CA 1C 8C 01 00 00 A0 AA B2 1E 8C 01 00 00 
{261} normal block at 0x0000018C1CCAED70, 16 bytes long.
 Data: < U&#203; &#140;           > 20 55 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018C1CCAEA50, 16 bytes long.
 Data: <&#248;T&#203; &#140;           > F8 54 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018C1CCAFBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000018C1CCAE960, 16 bytes long.
 Data: <&#208;T&#203; &#140;           > D0 54 CB 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018C1CCB54D0, 992 bytes long.
 Data: <`&#233;&#202; &#140;   &#240;&#251;&#202; &#140;   > 60 E9 CA 1C 8C 01 00 00 F0 FB CA 1C 8C 01 00 00 
{93} normal block at 0x0000018C1CCB0550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000018C1CCAECD0, 16 bytes long.
 Data: < &#231;&#202; &#140;           > 20 E7 CA 1C 8C 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000018C1CCAE720, 40 bytes long.
 Data: <&#208;&#236;&#202; &#140;   P &#203; &#140;   > D0 EC CA 1C 8C 01 00 00 50 05 CB 1C 8C 01 00 00 
{70} normal block at 0x0000018C1CCAF680, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018C1CCAEC80, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018C1CCAE9B0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018C1CCAEDC0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018C1CCAF2C0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018C1CCAF270, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018C1CCAEF50, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018C1CCAEAA0, 16 bytes long.
 Data: <    &#246;           > 10 04 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018C1CCAF130, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018C1CCAF450, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 15 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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