Task 38678857

Name test_436-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2298_0
Workunit 31620662
Created 26 Oct 2026, 18:42:57 UTC
Sent 26 Oct 2026, 18:43:01 UTC
Report deadline 31 Oct 2026, 18:43:01 UTC
Received 27 Oct 2026, 4:05:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638078
Run time 20 min 13 sec
CPU time 16 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 803.89 MB
Peak swap size 10.08 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:46:11 (43780): wrapper (7.9.26016): starting
04:46:11 (43780): 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
04:46:12 (43780): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:46:12 (43780): 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 'D:\ProgramData\BOINC\slots\24\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 'D:\ProgramData\BOINC\slots\24\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
05:05:42 (43780): C:/Windows/system32/cmd.exe exited; CPU time 1013.906250
05:05:42 (43780): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 27622828 bytes.
Dumping objects ->
{3835471} normal block at 0x0000020ACDD45DD0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x0000020ACDD46150, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835449} normal block at 0x0000020ACBF240D0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835438} normal block at 0x0000020ACBF24060, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835427} normal block at 0x0000020ACBF23FF0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835396} normal block at 0x0000020ACDCE9A80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x0000020ACDCFD480, 85 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) : {3835382} normal block at 0x0000020ACBF1E810, 8 bytes long.
 Data: <  &#234;&#203;    > 00 00 EA CB 0A 02 00 00 
{3834663} normal block at 0x0000020ACDCFDA20, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000020ACBF1DCD0, 8 bytes long.
 Data: < &#234;&#191;&#205;    > 00 EA BF CD 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020ACBF26080, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020ACBF16DF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000020ACBF25240, 16 bytes long.
 Data: <&#184;\&#242;&#203;            > B8 5C F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020ACBF25060, 16 bytes long.
 Data: < \&#242;&#203;            > 90 5C F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020ACBF1F560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000020ACBF25830, 16 bytes long.
 Data: <h\&#242;&#203;            > 68 5C F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020ACBF255B0, 16 bytes long.
 Data: <@\&#242;&#203;            > 40 5C F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020ACBF249D0, 16 bytes long.
 Data: < \&#242;&#203;            > 18 5C F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020ACBF24CA0, 16 bytes long.
 Data: <&#240;[&#242;&#203;            > F0 5B F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020ACBF24220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000020ACBF25010, 16 bytes long.
 Data: <h&#151;&#241;&#203;            > 68 97 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020ACBF1F500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000020ACBF24FC0, 16 bytes long.
 Data: <@&#151;&#241;&#203;            > 40 97 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020ACBF25560, 16 bytes long.
 Data: < &#151;&#241;&#203;            > 18 97 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020ACBF25650, 16 bytes long.
 Data: <&#240;&#150;&#241;&#203;            > F0 96 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020ACBF256F0, 16 bytes long.
 Data: <&#200;&#150;&#241;&#203;            > C8 96 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020ACBF25740, 16 bytes long.
 Data: <&#160;&#150;&#241;&#203;            > A0 96 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020ACBF252E0, 16 bytes long.
 Data: <x&#150;&#241;&#203;            > 78 96 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020ACBF1FE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000020ACBF24AC0, 16 bytes long.
 Data: <P&#150;&#241;&#203;            > 50 96 F1 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020ACBF19650, 320 bytes long.
 Data: <&#192;J&#242;&#203;    `&#254;&#241;&#203;    > C0 4A F2 CB 0A 02 00 00 60 FE F1 CB 0A 02 00 00 
{280} normal block at 0x0000020ACBF24F70, 16 bytes long.
 Data: <&#208;[&#242;&#203;            > D0 5B F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020ACBF24A20, 16 bytes long.
 Data: <&#168;[&#242;&#203;            > A8 5B F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020ACBF1F440, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000020ACBF24DE0, 16 bytes long.
 Data: < [&#242;&#203;            > 80 5B F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020ACBF1F3E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000020ACBF24F20, 16 bytes long.
 Data: <&#200;Z&#242;&#203;            > C8 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020ACBF25880, 16 bytes long.
 Data: <&#160;Z&#242;&#203;            > A0 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020ACBF251F0, 16 bytes long.
 Data: <xZ&#242;&#203;            > 78 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020ACBF257E0, 16 bytes long.
 Data: <PZ&#242;&#203;            > 50 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020ACBF24C50, 16 bytes long.
 Data: <(Z&#242;&#203;            > 28 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020ACBF24D90, 16 bytes long.
 Data: < Z&#242;&#203;            > 00 5A F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020ACBF24E80, 16 bytes long.
 Data: <pC&#242;&#203;            > 70 43 F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020ACBF24370, 40 bytes long.
 Data: < N&#242;&#203;     &#154;&#206;&#205;    > 80 4E F2 CB 0A 02 00 00 80 9A CE CD 0A 02 00 00 
{266} normal block at 0x0000020ACBF25600, 16 bytes long.
 Data: <&#224;Y&#242;&#203;            > E0 59 F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020ACBF25510, 16 bytes long.
 Data: <&#184;Y&#242;&#203;            > B8 59 F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020ACBF200A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000020ACBF254C0, 16 bytes long.
 Data: < Y&#242;&#203;            > 90 59 F2 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020ACBF25990, 992 bytes long.
 Data: <&#192;T&#242;&#203;    &#160; &#242;&#203;    > C0 54 F2 CB 0A 02 00 00 A0 00 F2 CB 0A 02 00 00 
{98} normal block at 0x0000020ACBF1F5C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000020ACBF1E0E0, 16 bytes long.
 Data: <&#224;&#227;&#240;&#203;            > E0 E3 F0 CB 0A 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020ACBF0E3E0, 40 bytes long.
 Data: <&#224;&#224;&#241;&#203;    &#192;&#245;&#241;&#203;    > E0 E0 F1 CB 0A 02 00 00 C0 F5 F1 CB 0A 02 00 00 
{75} normal block at 0x0000020ACBF1DBE0, 16 bytes long.
 Data: < &#234; &#139;&#246;           > 80 EA 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020ACBF1DA00, 16 bytes long.
 Data: <@&#233; &#139;&#246;           > 40 E9 1B 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020ACBF1DFA0, 16 bytes long.
 Data: <&#248;W &#139;&#246;           > F8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020ACBF1D9B0, 16 bytes long.
 Data: <&#216;W &#139;&#246;           > D8 57 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020ACBF1E540, 16 bytes long.
 Data: <P  &#139;&#246;           > 50 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020ACBF1DB40, 16 bytes long.
 Data: <0  &#139;&#246;           > 30 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020ACBF1E400, 16 bytes long.
 Data: <&#224;  &#139;&#246;           > E0 02 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020ACBF1E630, 16 bytes long.
 Data: <   &#139;&#246;           > 10 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020ACBF1E310, 16 bytes long.
 Data: <p  &#139;&#246;           > 70 04 18 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020ACBF1E180, 16 bytes long.
 Data: < &#192; &#139;&#246;           > 18 C0 16 8B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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