Task 38677681

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9604_0
Workunit 31619543
Created 26 Oct 2026, 15:04:14 UTC
Sent 26 Oct 2026, 15:04:18 UTC
Report deadline 31 Oct 2026, 15:04:18 UTC
Received 27 Oct 2026, 2:13:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630191
Run time 35 min 44 sec
CPU time 33 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.96 MB
Peak swap size 12.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:38:01 (34176): wrapper (7.9.26016): starting
21:38:01 (34176): 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
21:38:03 (34176): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:38:03 (34176): 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\11\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\11\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
22:12:27 (34176): C:/Windows/system32/cmd.exe exited; CPU time 1987.468750
22:12:27 (34176): 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: 41195953 bytes.
Dumping objects ->
{3835559} normal block at 0x00000277F029DEB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x00000277EE625310, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x00000277EE625230, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835526} normal block at 0x00000277EE6254D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835515} normal block at 0x00000277EE6258C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835484} normal block at 0x00000277F02EB6C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x00000277EE68AC50, 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) : {3835470} normal block at 0x00000277EE61E4D0, 8 bytes long.
 Data: <  &#186;&#238;w   > 00 00 BA EE 77 02 00 00 
{3834709} normal block at 0x00000277EE68B470, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000277EE61E2A0, 8 bytes long.
 Data: < J4&#240;w   > 10 4A 34 F0 77 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000277EE621820, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000277EE616C00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000277EE626100, 16 bytes long.
 Data: < sb&#238;w           > 98 73 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000277EE626650, 16 bytes long.
 Data: <psb&#238;w           > 70 73 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000277EE620A70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000277EE6268D0, 16 bytes long.
 Data: <Hsb&#238;w           > 48 73 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000277EE626FB0, 16 bytes long.
 Data: < sb&#238;w           > 20 73 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000277EE6262E0, 16 bytes long.
 Data: <&#248;rb&#238;w           > F8 72 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000277EE626CE0, 16 bytes long.
 Data: <&#208;rb&#238;w           > D0 72 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000277EE625700, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000277EE626290, 16 bytes long.
 Data: <&#184;&#187;`&#238;w           > B8 BB 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000277EE620B90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000277EE6260B0, 16 bytes long.
 Data: < &#187;`&#238;w           > 90 BB 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000277EE626240, 16 bytes long.
 Data: <h&#187;`&#238;w           > 68 BB 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000277EE626470, 16 bytes long.
 Data: <@&#187;`&#238;w           > 40 BB 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000277EE626560, 16 bytes long.
 Data: < &#187;`&#238;w           > 18 BB 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000277EE626C40, 16 bytes long.
 Data: <&#240;&#186;`&#238;w           > F0 BA 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000277EE626420, 16 bytes long.
 Data: <&#200;&#186;`&#238;w           > C8 BA 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000277EE6200B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000277EE626150, 16 bytes long.
 Data: <&#160;&#186;`&#238;w           > A0 BA 60 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000277EE60BAA0, 320 bytes long.
 Data: <Pab&#238;w   &#176; b&#238;w   > 50 61 62 EE 77 02 00 00 B0 00 62 EE 77 02 00 00 
{278} normal block at 0x00000277EE6261A0, 16 bytes long.
 Data: <&#176;rb&#238;w           > B0 72 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000277EE626BF0, 16 bytes long.
 Data: < rb&#238;w           > 88 72 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000277EE620410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000277EE626C90, 16 bytes long.
 Data: <`rb&#238;w           > 60 72 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000277EE620110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000277EE626F10, 16 bytes long.
 Data: <&#168;qb&#238;w           > A8 71 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000277EE626E20, 16 bytes long.
 Data: < qb&#238;w           > 80 71 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000277EE626600, 16 bytes long.
 Data: <Xqb&#238;w           > 58 71 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000277EE626F60, 16 bytes long.
 Data: <0qb&#238;w           > 30 71 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000277EE6265B0, 16 bytes long.
 Data: < qb&#238;w           > 08 71 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000277EE626D80, 16 bytes long.
 Data: <&#224;pb&#238;w           > E0 70 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000277EE626880, 16 bytes long.
 Data: < Sb&#238;w           > 80 53 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000277EE625380, 40 bytes long.
 Data: < hb&#238;w   &#192;&#182;.&#240;w   > 80 68 62 EE 77 02 00 00 C0 B6 2E F0 77 02 00 00 
{264} normal block at 0x00000277EE626A60, 16 bytes long.
 Data: <&#192;pb&#238;w           > C0 70 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000277EE626740, 16 bytes long.
 Data: < pb&#238;w           > 98 70 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000277EE6208F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000277EE626510, 16 bytes long.
 Data: <ppb&#238;w           > 70 70 62 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000277EE627070, 992 bytes long.
 Data: < eb&#238;w   &#240; b&#238;w   > 10 65 62 EE 77 02 00 00 F0 08 62 EE 77 02 00 00 
{96} normal block at 0x00000277EE620C50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000277EE61DA80, 16 bytes long.
 Data: <0&#250;a&#238;w           > 30 FA 61 EE 77 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000277EE61FA30, 40 bytes long.
 Data: < &#218;a&#238;w   P b&#238;w   > 80 DA 61 EE 77 02 00 00 50 0C 62 EE 77 02 00 00 
{73} normal block at 0x00000277EE61E6B0, 16 bytes long.
 Data: < &#234;1P&#247;           > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000277EE61E7F0, 16 bytes long.
 Data: <@&#233;1P&#247;           > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000277EE61DD00, 16 bytes long.
 Data: <&#248;W.P&#247;           > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000277EE61E250, 16 bytes long.
 Data: <&#216;W.P&#247;           > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000277EE61E5C0, 16 bytes long.
 Data: <P .P&#247;           > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000277EE61DC10, 16 bytes long.
 Data: <0 .P&#247;           > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000277EE61E110, 16 bytes long.
 Data: <&#224; .P&#247;           > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000277EE61DFD0, 16 bytes long.
 Data: <  .P&#247;           > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000277EE61DD50, 16 bytes long.
 Data: <p .P&#247;           > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000277EE61E8E0, 16 bytes long.
 Data: < &#192;,P&#247;           > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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