Task 38680756

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND5382_0
Workunit 31622457
Created 27 Oct 2026, 1:21:18 UTC
Sent 27 Oct 2026, 1:21:35 UTC
Report deadline 1 Nov 2026, 1:21:35 UTC
Received 27 Oct 2026, 3:29:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 32 min
CPU time 27 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.39 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:58:11 (23708): wrapper (7.9.26016): starting
22:58:11 (23708): 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
22:58:13 (23708): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:58:13 (23708): 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\30\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\30\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
23:29:00 (23708): C:/Windows/system32/cmd.exe exited; CPU time 1670.109375
23:29:00 (23708): 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: 32090555 bytes.
Dumping objects ->
{3835536} normal block at 0x0000017F21F5D5E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000017F20146210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000017F201460C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000017F20145E20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000017F20145DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x0000017F21FA5D50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x0000017F201AB4E0, 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) : {3835447} normal block at 0x0000017F2013F890, 8 bytes long.
 Data: <  d     > 00 00 64 20 7F 01 00 00 
{3834695} normal block at 0x0000017F201ABC30, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000017F20140650, 8 bytes long.
 Data: <&#176;X "    > B0 58 03 22 7F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017F201418B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017F20137070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000017F201472D0, 16 bytes long.
 Data: <&#232;x              > E8 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017F201466A0, 16 bytes long.
 Data: <&#192;x              > C0 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017F20140EE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000017F20147370, 16 bytes long.
 Data: < x              > 98 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017F20146EC0, 16 bytes long.
 Data: <px              > 70 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017F20147230, 16 bytes long.
 Data: <Hx              > 48 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017F20146790, 16 bytes long.
 Data: < x              > 20 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017F201461A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000017F201466F0, 16 bytes long.
 Data: <h&#245;              > 68 F5 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017F20140AC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000017F20146D80, 16 bytes long.
 Data: <@&#245;              > 40 F5 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017F20146C90, 16 bytes long.
 Data: < &#245;              > 18 F5 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017F20146FB0, 16 bytes long.
 Data: <&#240;&#244;              > F0 F4 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017F20146F60, 16 bytes long.
 Data: <&#200;&#244;              > C8 F4 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017F20147500, 16 bytes long.
 Data: <&#160;&#244;              > A0 F4 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017F20146C40, 16 bytes long.
 Data: <x&#244;              > 78 F4 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017F20140B80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000017F20146CE0, 16 bytes long.
 Data: <P&#244;              > 50 F4 13 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017F2013F450, 320 bytes long.
 Data: <&#224;l              > E0 6C 14 20 7F 01 00 00 80 0B 14 20 7F 01 00 00 
{277} normal block at 0x0000017F20146740, 16 bytes long.
 Data: < x              > 00 78 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017F20146D30, 16 bytes long.
 Data: <&#216;w              > D8 77 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017F201411E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000017F20146B00, 16 bytes long.
 Data: <&#176;w              > B0 77 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017F201410C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000017F20147190, 16 bytes long.
 Data: <&#248;v              > F8 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017F20146F10, 16 bytes long.
 Data: <&#208;v              > D0 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017F20147140, 16 bytes long.
 Data: <&#168;v              > A8 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017F201470F0, 16 bytes long.
 Data: < v              > 80 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017F20146600, 16 bytes long.
 Data: <Xv              > 58 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017F20146E20, 16 bytes long.
 Data: <0v              > 30 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017F201469C0, 16 bytes long.
 Data: < _              > 00 5F 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017F20145F00, 40 bytes long.
 Data: <&#192;i      P]&#250;!    > C0 69 14 20 7F 01 00 00 50 5D FA 21 7F 01 00 00 
{263} normal block at 0x0000017F20146E70, 16 bytes long.
 Data: < v              > 10 76 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017F20146830, 16 bytes long.
 Data: <&#232;u              > E8 75 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017F20141240, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000017F201471E0, 16 bytes long.
 Data: <&#192;u              > C0 75 14 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017F201475C0, 992 bytes long.
 Data: <&#224;q      @       > E0 71 14 20 7F 01 00 00 40 12 14 20 7F 01 00 00 
{95} normal block at 0x0000017F20141300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000017F2013FF70, 16 bytes long.
 Data: <&#224;&#199;              > E0 C7 12 20 7F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000017F2012C7E0, 40 bytes long.
 Data: <p&#255;              > 70 FF 13 20 7F 01 00 00 00 13 14 20 7F 01 00 00 
{72} normal block at 0x0000017F20140600, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017F2013FCA0, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017F20140470, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017F20140420, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017F201401A0, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017F2013FFC0, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017F20140060, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017F2013FA20, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017F20140510, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017F201405B0, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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