Task 38667914

Name test_714-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND9710_1
Workunit 31610472
Created 25 Oct 2026, 9:54:41 UTC
Sent 25 Oct 2026, 9:54:43 UTC
Report deadline 30 Oct 2026, 9:54:43 UTC
Received 25 Oct 2026, 11:33:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 21 sec
CPU time 24 min 51 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 710.52 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:05:23 (17384): wrapper (7.9.26016): starting
07:05:23 (17384): 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
07:05:24 (17384): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:05:24 (17384): 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
07:32:10 (17384): C:/Windows/system32/cmd.exe exited; CPU time 1491.937500
07:32:10 (17384): 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: 31530377 bytes.
Dumping objects ->
{3835236} normal block at 0x000001FCEA185FE0, 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 0x000001FCEA185F00, 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 0x000001FCEA185E20, 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 0x000001FCEA185DB0, 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 0x000001FCEA185D40, 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 0x000001FCEBFAA090, 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 0x000001FCEBFC0030, 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 0x000001FCEA17FC90, 8 bytes long.
 Data: <  w&#234;&#252;   > 00 00 77 EA FC 01 00 00 
{3834543} normal block at 0x000001FCEBFBF5E0, 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 0x000001FCEA180280, 8 bytes long.
 Data: <&#176;&#233;%&#234;&#252;   > B0 E9 25 EA FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FCEA181800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FCEA1775F0, 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 0x000001FCEA1871E0, 16 bytes long.
 Data: <&#232;x &#234;&#252;           > E8 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FCEA186C40, 16 bytes long.
 Data: <&#192;x &#234;&#252;           > C0 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FCEA180DF0, 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 0x000001FCEA186F60, 16 bytes long.
 Data: < x &#234;&#252;           > 98 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FCEA187410, 16 bytes long.
 Data: <px &#234;&#252;           > 70 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FCEA187000, 16 bytes long.
 Data: <Hx &#234;&#252;           > 48 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FCEA186EC0, 16 bytes long.
 Data: < x &#234;&#252;           > 20 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FCEA185B80, 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 0x000001FCEA1867E0, 16 bytes long.
 Data: < c &#234;&#252;           > 08 63 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FCEA180BB0, 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 0x000001FCEA187190, 16 bytes long.
 Data: <&#224;b &#234;&#252;           > E0 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FCEA186A10, 16 bytes long.
 Data: <&#184;b &#234;&#252;           > B8 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FCEA186E70, 16 bytes long.
 Data: < b &#234;&#252;           > 90 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FCEA1866A0, 16 bytes long.
 Data: <hb &#234;&#252;           > 68 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FCEA187140, 16 bytes long.
 Data: <@b &#234;&#252;           > 40 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FCEA186BA0, 16 bytes long.
 Data: < b &#234;&#252;           > 18 62 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FCEA181330, 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 0x000001FCEA1866F0, 16 bytes long.
 Data: <&#240;a &#234;&#252;           > F0 61 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FCEA1861F0, 320 bytes long.
 Data: <&#240;f &#234;&#252;   0  &#234;&#252;   > F0 66 18 EA FC 01 00 00 30 13 18 EA FC 01 00 00 
{275} normal block at 0x000001FCEA1870A0, 16 bytes long.
 Data: < x &#234;&#252;           > 00 78 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FCEA1874B0, 16 bytes long.
 Data: <&#216;w &#234;&#252;           > D8 77 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FCEA1816F0, 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 0x000001FCEA186B00, 16 bytes long.
 Data: <&#176;w &#234;&#252;           > B0 77 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FCEA1815D0, 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 0x000001FCEA1870F0, 16 bytes long.
 Data: <&#248;v &#234;&#252;           > F8 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FCEA187280, 16 bytes long.
 Data: <&#208;v &#234;&#252;           > D0 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FCEA186E20, 16 bytes long.
 Data: <&#168;v &#234;&#252;           > A8 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FCEA186DD0, 16 bytes long.
 Data: < v &#234;&#252;           > 80 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FCEA187500, 16 bytes long.
 Data: <Xv &#234;&#252;           > 58 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FCEA187050, 16 bytes long.
 Data: <0v &#234;&#252;           > 30 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FCEA186F10, 16 bytes long.
 Data: <&#160;Z &#234;&#252;           > A0 5A 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FCEA185AA0, 40 bytes long.
 Data: < o &#234;&#252;    &#160;&#250;&#235;&#252;   > 10 6F 18 EA FC 01 00 00 90 A0 FA EB FC 01 00 00 
{261} normal block at 0x000001FCEA187550, 16 bytes long.
 Data: < v &#234;&#252;           > 10 76 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FCEA186FB0, 16 bytes long.
 Data: <&#232;u &#234;&#252;           > E8 75 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FCEA181030, 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 0x000001FCEA187230, 16 bytes long.
 Data: <&#192;u &#234;&#252;           > C0 75 18 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FCEA1875C0, 992 bytes long.
 Data: <0r &#234;&#252;   0  &#234;&#252;   > 30 72 18 EA FC 01 00 00 30 10 18 EA FC 01 00 00 
{93} normal block at 0x000001FCEA180AF0, 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 0x000001FCEA180730, 16 bytes long.
 Data: < &#213; &#234;&#252;           > 20 D5 16 EA FC 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FCEA16D520, 40 bytes long.
 Data: <0  &#234;&#252;   &#240;  &#234;&#252;   > 30 07 18 EA FC 01 00 00 F0 0A 18 EA FC 01 00 00 
{70} normal block at 0x000001FCEA17FDD0, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FCEA180190, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FCEA17FE20, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FCEA17F970, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FCEA180230, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FCEA17FD30, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FCEA180460, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FCEA17FEC0, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FCEA17FC40, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FCEA17FCE0, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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