Task 38671834

Name test_69-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND8622_0
Workunit 31614019
Created 25 Oct 2026, 21:43:06 UTC
Sent 25 Oct 2026, 21:43:13 UTC
Report deadline 30 Oct 2026, 21:43:13 UTC
Received 27 Oct 2026, 14:33:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 15 sec
CPU time 24 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.79 MB
Peak swap size 8.50 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:05:51 (7236): wrapper (7.9.26016): starting
10:05:51 (7236): 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
10:05:52 (7236): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:05:52 (7236): 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\21\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\21\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
10:32:32 (7236): C:/Windows/system32/cmd.exe exited; CPU time 1487.562500
10:32:32 (7236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 31188133 bytes.
Dumping objects ->
{3835236} normal block at 0x00000137515A4E50, 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 0x00000137515A4D70, 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 0x00000137515A4C20, 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 0x00000137515A4BB0, 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 0x00000137515A4AD0, 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 0x0000013753435380, 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 0x000001375344E520, 103 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 0x000001375159EB70, 8 bytes long.
 Data: <  VQ7   > 00 00 56 51 37 01 00 00 
{3834543} normal block at 0x000001375344F020, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001375159F1B0, 8 bytes long.
 Data: <`&#130;BS7   > 60 82 42 53 37 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000137515A1180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013751596560, 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 0x00000137515A6390, 16 bytes long.
 Data: <XiZQ7           > 58 69 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000137515A62F0, 16 bytes long.
 Data: <0iZQ7           > 30 69 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000137515A00D0, 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 0x00000137515A5D00, 16 bytes long.
 Data: < iZQ7           > 08 69 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000137515A5C60, 16 bytes long.
 Data: <&#224;hZQ7           > E0 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000137515A5EE0, 16 bytes long.
 Data: <&#184;hZQ7           > B8 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000137515A5CB0, 16 bytes long.
 Data: < hZQ7           > 90 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000137515A4F30, 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 0x00000137515A6480, 16 bytes long.
 Data: <h&#232;YQ7           > 68 E8 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000137515A0070, 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 0x00000137515A6340, 16 bytes long.
 Data: <@&#232;YQ7           > 40 E8 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000137515A5C10, 16 bytes long.
 Data: < &#232;YQ7           > 18 E8 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000137515A5F80, 16 bytes long.
 Data: <&#240;&#231;YQ7           > F0 E7 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000137515A6070, 16 bytes long.
 Data: <&#200;&#231;YQ7           > C8 E7 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000137515A6430, 16 bytes long.
 Data: <&#160;&#231;YQ7           > A0 E7 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000137515A6020, 16 bytes long.
 Data: <x&#231;YQ7           > 78 E7 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000137515A0250, 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 0x00000137515A5BC0, 16 bytes long.
 Data: <P&#231;YQ7           > 50 E7 59 51 37 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001375159E750, 320 bytes long.
 Data: <&#192;[ZQ7   P ZQ7   > C0 5B 5A 51 37 01 00 00 50 02 5A 51 37 01 00 00 
{275} normal block at 0x00000137515A61B0, 16 bytes long.
 Data: <phZQ7           > 70 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000137515A5E90, 16 bytes long.
 Data: <HhZQ7           > 48 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000137515A06D0, 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 0x00000137515A6160, 16 bytes long.
 Data: < hZQ7           > 20 68 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000137515A0670, 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 0x00000137515A5B20, 16 bytes long.
 Data: <hgZQ7           > 68 67 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000137515A5AD0, 16 bytes long.
 Data: <@gZQ7           > 40 67 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000137515A59E0, 16 bytes long.
 Data: < gZQ7           > 18 67 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000137515A5B70, 16 bytes long.
 Data: <&#240;fZQ7           > F0 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000137515A5670, 16 bytes long.
 Data: <&#200;fZQ7           > C8 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000137515A5E40, 16 bytes long.
 Data: <&#160;fZQ7           > A0 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000137515A5A30, 16 bytes long.
 Data: < MZQ7           > 00 4D 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000137515A4D00, 40 bytes long.
 Data: <0ZZQ7    SCS7   > 30 5A 5A 51 37 01 00 00 80 53 43 53 37 01 00 00 
{261} normal block at 0x00000137515A56C0, 16 bytes long.
 Data: < fZQ7           > 80 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000137515A5A80, 16 bytes long.
 Data: <XfZQ7           > 58 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000137515A0970, 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 0x00000137515A5FD0, 16 bytes long.
 Data: <0fZQ7           > 30 66 5A 51 37 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000137515A6630, 992 bytes long.
 Data: <&#208;_ZQ7   p	ZQ7   > D0 5F 5A 51 37 01 00 00 70 09 5A 51 37 01 00 00 
{93} normal block at 0x00000137515A0310, 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 0x000001375159ED50, 16 bytes long.
 Data: < &#226;XQ7           > 20 E2 58 51 37 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001375158E220, 40 bytes long.
 Data: <P&#237;YQ7     ZQ7   > 50 ED 59 51 37 01 00 00 10 03 5A 51 37 01 00 00 
{70} normal block at 0x000001375159F7F0, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001375159EDA0, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001375159F070, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001375159F2F0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001375159F8E0, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001375159EE40, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001375159F480, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001375159F9D0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001375159F110, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001375159ED00, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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