Task 38672363

Name test_145-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7472_1
Workunit 31614464
Created 25 Oct 2026, 23:12:14 UTC
Sent 25 Oct 2026, 23:12:22 UTC
Report deadline 30 Oct 2026, 23:12:22 UTC
Received 26 Oct 2026, 0:13:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 30 min 37 sec
CPU time 30 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.69 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:43:08 (3076): wrapper (7.9.26016): starting
00:43:08 (3076): 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
00:43:09 (3076): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:43:09 (3076): 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
01:12:57 (3076): C:/Windows/system32/cmd.exe exited; CPU time 1817.328125
01:12:57 (3076): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 21892207 bytes.
Dumping objects ->
{3835245} normal block at 0x0000025284B70A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000025284B71480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000025284B711E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000025284B71170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000025284B70AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000025284C1CDD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000025284D05B20, 140 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) : {3835156} normal block at 0x0000025282F87400, 8 bytes long.
 Data: <  &#236;&#130;R   > 00 00 EC 82 52 02 00 00 
{3834558} normal block at 0x0000025284D057E0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000025282F86A50, 8 bytes long.
 Data: <&#192;j&#186;&#132;R   > C0 6A BA 84 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025282F92420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025282F75C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000025282F93EB0, 16 bytes long.
 Data: <XF&#249;&#130;R           > 58 46 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025282F93C80, 16 bytes long.
 Data: <0F&#249;&#130;R           > 30 46 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025282F8CD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000025282F93C30, 16 bytes long.
 Data: < F&#249;&#130;R           > 08 46 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025282F935A0, 16 bytes long.
 Data: <&#224;E&#249;&#130;R           > E0 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025282F93730, 16 bytes long.
 Data: <&#184;E&#249;&#130;R           > B8 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025282F94180, 16 bytes long.
 Data: < E&#249;&#130;R           > 90 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025282F8B3E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000025282F936E0, 16 bytes long.
 Data: <(&#177;&#247;&#130;R           > 28 B1 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025282F8CED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000025282F93BE0, 16 bytes long.
 Data: < &#177;&#247;&#130;R           > 00 B1 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025282F93A50, 16 bytes long.
 Data: <&#216;&#176;&#247;&#130;R           > D8 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025282F93D20, 16 bytes long.
 Data: <&#176;&#176;&#247;&#130;R           > B0 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025282F93B90, 16 bytes long.
 Data: < &#176;&#247;&#130;R           > 88 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025282F94270, 16 bytes long.
 Data: <`&#176;&#247;&#130;R           > 60 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025282F93CD0, 16 bytes long.
 Data: <8&#176;&#247;&#130;R           > 38 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025282F8CCF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000025282F93D70, 16 bytes long.
 Data: < &#176;&#247;&#130;R           > 10 B0 F7 82 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025282F7B010, 320 bytes long.
 Data: <p=&#249;&#130;R   &#240;&#204;&#248;&#130;R   > 70 3D F9 82 52 02 00 00 F0 CC F8 82 52 02 00 00 
{279} normal block at 0x0000025282F94040, 16 bytes long.
 Data: <pE&#249;&#130;R           > 70 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025282F93E60, 16 bytes long.
 Data: <HE&#249;&#130;R           > 48 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025282F8D470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000025282F93A00, 16 bytes long.
 Data: < E&#249;&#130;R           > 20 45 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025282F8C990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000025282F93500, 16 bytes long.
 Data: <hD&#249;&#130;R           > 68 44 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025282F93E10, 16 bytes long.
 Data: <@D&#249;&#130;R           > 40 44 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025282F94220, 16 bytes long.
 Data: < D&#249;&#130;R           > 18 44 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025282F933C0, 16 bytes long.
 Data: <&#240;C&#249;&#130;R           > F0 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025282F93960, 16 bytes long.
 Data: <&#200;C&#249;&#130;R           > C8 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025282F93F50, 16 bytes long.
 Data: <&#160;C&#249;&#130;R           > A0 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025282F94130, 16 bytes long.
 Data: <P&#180;&#248;&#130;R           > 50 B4 F8 82 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025282F8B450, 40 bytes long.
 Data: <0A&#249;&#130;R   &#208;&#205;&#193;&#132;R   > 30 41 F9 82 52 02 00 00 D0 CD C1 84 52 02 00 00 
{265} normal block at 0x0000025282F942C0, 16 bytes long.
 Data: < C&#249;&#130;R           > 80 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025282F93870, 16 bytes long.
 Data: <XC&#249;&#130;R           > 58 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025282F8D050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000025282F93B40, 16 bytes long.
 Data: <0C&#249;&#130;R           > 30 43 F9 82 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025282F94330, 992 bytes long.
 Data: <@;&#249;&#130;R   P&#208;&#248;&#130;R   > 40 3B F9 82 52 02 00 00 50 D0 F8 82 52 02 00 00 
{97} normal block at 0x0000025282F8CB10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000025282F86BE0, 16 bytes long.
 Data: < &#185;&#248;&#130;R           > 90 B9 F8 82 52 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025282F8B990, 40 bytes long.
 Data: <&#224;k&#248;&#130;R    &#203;&#248;&#130;R   > E0 6B F8 82 52 02 00 00 10 CB F8 82 52 02 00 00 
{74} normal block at 0x0000025282F86B90, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025282F872C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025282F865A0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025282F87220, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025282F871D0, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025282F87090, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025282F86FA0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025282F86AF0, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025282F86F50, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025282F86F00, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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