Task 38680814

Name test_136-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5696_0
Workunit 31622514
Created 27 Oct 2026, 1:37:53 UTC
Sent 27 Oct 2026, 1:37:57 UTC
Report deadline 1 Nov 2026, 1:37:57 UTC
Received 27 Oct 2026, 2:51:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 54 min 46 sec
CPU time 41 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.74 MB
Peak swap size 5.38 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:56:50 (1744): wrapper (7.9.26016): starting
21:56:50 (1744): 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
21:56:52 (1744): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:56:52 (1744): 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\Boinc2\slots\6\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\Boinc2\slots\6\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: Exiting with failure status due to previous errors
22:50:26 (1744): C:/Windows/system32/cmd.exe exited; CPU time 2460.218750
22:50:26 (1744): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 39354211 bytes.
Dumping objects ->
{3835332} normal block at 0x000002B2F5F56A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835321} normal block at 0x000002B2F5F56DA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000002B2F5F567F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835299} normal block at 0x000002B2F5F56710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x000002B2F5F566A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835257} normal block at 0x000002B2F5EBC180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000002B2F5F1CFC0, 102 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) : {3835243} normal block at 0x000002B2F42E6AF0, 8 bytes long.
 Data: <  )&#244;&#178;   > 00 00 29 F4 B2 02 00 00 
{3834581} normal block at 0x000002B2F5F1DCD0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002B2F42E7130, 8 bytes long.
 Data: <&#208;o&#245;&#245;&#178;   > D0 6F F5 F5 B2 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002B2F42F05E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B2F42DAF70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002B2F42F2110, 16 bytes long.
 Data: <&#232;6/&#244;&#178;           > E8 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B2F42F16C0, 16 bytes long.
 Data: <&#192;6/&#244;&#178;           > C0 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B2F42ED280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002B2F42F20C0, 16 bytes long.
 Data: < 6/&#244;&#178;           > 98 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B2F42F1EE0, 16 bytes long.
 Data: <p6/&#244;&#178;           > 70 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002B2F42F1530, 16 bytes long.
 Data: <H6/&#244;&#178;           > 48 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B2F42F1C60, 16 bytes long.
 Data: < 6/&#244;&#178;           > 20 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B2F42EBB70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002B2F42F21B0, 16 bytes long.
 Data: < &#201;.&#244;&#178;           > 18 C9 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B2F42ED580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002B2F42F14E0, 16 bytes long.
 Data: <&#240;&#200;.&#244;&#178;           > F0 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B2F42F1CB0, 16 bytes long.
 Data: <&#200;&#200;.&#244;&#178;           > C8 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002B2F42F1C10, 16 bytes long.
 Data: <&#160;&#200;.&#244;&#178;           > A0 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B2F42F1A30, 16 bytes long.
 Data: <x&#200;.&#244;&#178;           > 78 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B2F42F1E90, 16 bytes long.
 Data: <P&#200;.&#244;&#178;           > 50 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B2F42F1AD0, 16 bytes long.
 Data: <(&#200;.&#244;&#178;           > 28 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B2F42ED760, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002B2F42F18A0, 16 bytes long.
 Data: < &#200;.&#244;&#178;           > 00 C8 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B2F42EC800, 320 bytes long.
 Data: <&#160; /&#244;&#178;   `&#215;.&#244;&#178;   > A0 18 2F F4 B2 02 00 00 60 D7 2E F4 B2 02 00 00 
{270} normal block at 0x000002B2F42F1B70, 16 bytes long.
 Data: < 6/&#244;&#178;           > 00 36 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B2F42F2200, 16 bytes long.
 Data: <&#216;5/&#244;&#178;           > D8 35 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B2F42ECB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002B2F42F1B20, 16 bytes long.
 Data: <&#176;5/&#244;&#178;           > B0 35 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B2F42ED6A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002B2F42F1FD0, 16 bytes long.
 Data: <&#248;4/&#244;&#178;           > F8 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B2F42F1850, 16 bytes long.
 Data: <&#208;4/&#244;&#178;           > D0 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B2F42F1670, 16 bytes long.
 Data: <&#168;4/&#244;&#178;           > A8 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B2F42F2160, 16 bytes long.
 Data: < 4/&#244;&#178;           > 80 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B2F42F1440, 16 bytes long.
 Data: <X4/&#244;&#178;           > 58 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B2F42F1D00, 16 bytes long.
 Data: <04/&#244;&#178;           > 30 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B2F42F2070, 16 bytes long.
 Data: <&#176;&#185;.&#244;&#178;           > B0 B9 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B2F42EB9B0, 40 bytes long.
 Data: <p /&#244;&#178;    &#193;&#235;&#245;&#178;   > 70 20 2F F4 B2 02 00 00 80 C1 EB F5 B2 02 00 00 
{256} normal block at 0x000002B2F42F1620, 16 bytes long.
 Data: < 4/&#244;&#178;           > 10 34 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B2F42F1DA0, 16 bytes long.
 Data: <&#232;3/&#244;&#178;           > E8 33 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002B2F42EDA00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002B2F42F15D0, 16 bytes long.
 Data: <&#192;3/&#244;&#178;           > C0 33 2F F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B2F42F33C0, 992 bytes long.
 Data: <&#208; /&#244;&#178;    &#218;.&#244;&#178;   > D0 15 2F F4 B2 02 00 00 00 DA 2E F4 B2 02 00 00 
{88} normal block at 0x000002B2F42ECFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002B2F42E6730, 16 bytes long.
 Data: < &#183;.&#244;&#178;           > 10 B7 2E F4 B2 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002B2F42EB710, 40 bytes long.
 Data: <0g.&#244;&#178;   &#224;&#207;.&#244;&#178;   > 30 67 2E F4 B2 02 00 00 E0 CF 2E F4 B2 02 00 00 
{65} normal block at 0x000002B2F42E67D0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B2F42E66E0, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B2F42E6FF0, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B2F42E6910, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B2F42E6690, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B2F42E6B40, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B2F42E7040, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B2F42E6D70, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B2F42E75E0, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B2F42E7400, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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