Task 38688816

Name test_569-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3902_0
Workunit 31630126
Created 28 Oct 2026, 16:19:51 UTC
Sent 28 Oct 2026, 16:19:55 UTC
Report deadline 2 Nov 2026, 16:19:55 UTC
Received 28 Oct 2026, 16:39:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 18 min 58 sec
CPU time 17 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.19 MB
Peak swap size 9.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:20:50 (64464): wrapper (7.9.26016): starting
11:20:50 (64464): 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
11:20:51 (64464): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:51 (64464): 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
11:39:04 (64464): C:/Windows/system32/cmd.exe exited; CPU time 1079.968750
11:39:04 (64464): 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: 28053937 bytes.
Dumping objects ->
{3835236} normal block at 0x000001A1A29C1410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001A1A29C0E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001A1A29C1330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x000001A1A29C0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x000001A1A29C15D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x000001A1A2AB4D40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001A1A2ACFB30, 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) : {3835147} normal block at 0x000001A1A0DEDCB0, 8 bytes long.
 Data: <  |&#162;&#161;   > 00 00 7C A2 A1 01 00 00 
{3834547} normal block at 0x000001A1A2ACFBE0, 102 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 0x000001A1A0DEDFD0, 8 bytes long.
 Data: <&#208;F&#180;&#162;&#161;   > D0 46 B4 A2 A1 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A1A0DF26D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A1A0DE2E50, 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 0x000001A1A0DF6780, 16 bytes long.
 Data: <Xq&#223;&#160;&#161;           > 58 71 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A1A0DF6640, 16 bytes long.
 Data: <0q&#223;&#160;&#161;           > 30 71 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A1A0DEFE70, 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 0x000001A1A0DF5F10, 16 bytes long.
 Data: < q&#223;&#160;&#161;           > 08 71 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A1A0DF6870, 16 bytes long.
 Data: <&#224;p&#223;&#160;&#161;           > E0 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A1A0DF64B0, 16 bytes long.
 Data: <&#184;p&#223;&#160;&#161;           > B8 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A1A0DF6D20, 16 bytes long.
 Data: < p&#223;&#160;&#161;           > 90 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A1A0DF0E00, 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 0x000001A1A0DF6410, 16 bytes long.
 Data: <&#168;&#245;&#222;&#160;&#161;           > A8 F5 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A1A0DF0530, 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 0x000001A1A0DF6C80, 16 bytes long.
 Data: < &#245;&#222;&#160;&#161;           > 80 F5 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A1A0DF6280, 16 bytes long.
 Data: <X&#245;&#222;&#160;&#161;           > 58 F5 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A1A0DF6CD0, 16 bytes long.
 Data: <0&#245;&#222;&#160;&#161;           > 30 F5 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A1A0DF5E70, 16 bytes long.
 Data: < &#245;&#222;&#160;&#161;           > 08 F5 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A1A0DF61E0, 16 bytes long.
 Data: <&#224;&#244;&#222;&#160;&#161;           > E0 F4 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A1A0DF65F0, 16 bytes long.
 Data: <&#184;&#244;&#222;&#160;&#161;           > B8 F4 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A1A0DF0590, 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 0x000001A1A0DF6DC0, 16 bytes long.
 Data: < &#244;&#222;&#160;&#161;           > 90 F4 DE A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A1A0DEF490, 320 bytes long.
 Data: <&#192;m&#223;&#160;&#161;     &#223;&#160;&#161;   > C0 6D DF A0 A1 01 00 00 90 05 DF A0 A1 01 00 00 
{280} normal block at 0x000001A1A0DF6A00, 16 bytes long.
 Data: <pp&#223;&#160;&#161;           > 70 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A1A0DF6AF0, 16 bytes long.
 Data: <Hp&#223;&#160;&#161;           > 48 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A1A0DF03B0, 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 0x000001A1A0DF63C0, 16 bytes long.
 Data: < p&#223;&#160;&#161;           > 20 70 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A1A0DEFA50, 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 0x000001A1A0DF6B90, 16 bytes long.
 Data: <ho&#223;&#160;&#161;           > 68 6F DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A1A0DF6190, 16 bytes long.
 Data: <@o&#223;&#160;&#161;           > 40 6F DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A1A0DF6320, 16 bytes long.
 Data: < o&#223;&#160;&#161;           > 18 6F DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A1A0DF6BE0, 16 bytes long.
 Data: <&#240;n&#223;&#160;&#161;           > F0 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A1A0DF60A0, 16 bytes long.
 Data: <&#200;n&#223;&#160;&#161;           > C8 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A1A0DF6460, 16 bytes long.
 Data: <&#160;n&#223;&#160;&#161;           > A0 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A1A0DF69B0, 16 bytes long.
 Data: <&#240; &#223;&#160;&#161;           > F0 0A DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A1A0DF0AF0, 40 bytes long.
 Data: <&#176;i&#223;&#160;&#161;   @M&#171;&#162;&#161;   > B0 69 DF A0 A1 01 00 00 40 4D AB A2 A1 01 00 00 
{266} normal block at 0x000001A1A0DF62D0, 16 bytes long.
 Data: < n&#223;&#160;&#161;           > 80 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A1A0DF5F60, 16 bytes long.
 Data: <Xn&#223;&#160;&#161;           > 58 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A1A0DEFDB0, 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 0x000001A1A0DF65A0, 16 bytes long.
 Data: <0n&#223;&#160;&#161;           > 30 6E DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A1A0DF6E30, 992 bytes long.
 Data: <&#160;e&#223;&#160;&#161;   &#176;&#253;&#222;&#160;&#161;   > A0 65 DF A0 A1 01 00 00 B0 FD DE A0 A1 01 00 00 
{98} normal block at 0x000001A1A0DF04D0, 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 0x000001A1A0DEDF30, 16 bytes long.
 Data: <P &#223;&#160;&#161;           > 50 08 DF A0 A1 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001A1A0DF0850, 40 bytes long.
 Data: <0&#223;&#222;&#160;&#161;   &#208; &#223;&#160;&#161;   > 30 DF DE A0 A1 01 00 00 D0 04 DF A0 A1 01 00 00 
{75} normal block at 0x000001A1A0DED8A0, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A1A0DEE6B0, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A1A0DEDD00, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A1A0DEE2A0, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A1A0DEDDA0, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A1A0DEE480, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A1A0DEDC60, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A1A0DEE0C0, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A1A0DED800, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A1A0DEE660, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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