Task 38647512

Name test_404-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND5256_0
Workunit 31592241
Created 23 Oct 2026, 20:11:53 UTC
Sent 23 Oct 2026, 20:22:34 UTC
Report deadline 28 Oct 2026, 20:22:34 UTC
Received 24 Oct 2026, 0:52:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 597727
Run time 2 hours 46 min 16 sec
CPU time 2 hours 46 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,606.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.59 MB
Peak swap size 6.85 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:41:34 (40572): wrapper (7.9.26016): starting
17:41:34 (40572): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
      0 [main] tar 656 C:\ProgramData\BOINC\slots\149\Library\usr\bin\tar.exe: *** fatal error in forked process - WFSO timed out after longjmp
db
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
17:41:59 (12224): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:41:59 (12224): 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\149\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\149\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
20:52:03 (12224): C:/Windows/system32/cmd.exe exited; CPU time 9976.078125
20:52:03 (12224): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 229832635 bytes.
Dumping objects ->
{1878} normal block at 0x0000022A46285010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1867} normal block at 0x0000022A46284D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1856} normal block at 0x0000022A46284C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1845} normal block at 0x0000022A462849F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1834} normal block at 0x0000022A46284C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1803} normal block at 0x0000022A4626F580, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1790} normal block at 0x0000022A46285C90, 8 bytes long.
 Data: <   F*   > 00 00 8B 46 2A 02 00 00 
{307} normal block at 0x0000022A46285970, 8 bytes long.
 Data: < i(F*   > E0 69 28 46 2A 02 00 00 
{299} normal block at 0x0000022A462768E0, 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 0x0000022A46286280, 16 bytes long.
 Data: < h(F*           > E8 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022A462858D0, 16 bytes long.
 Data: < h(F*           > C0 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022A4627F080, 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 0x0000022A46285880, 16 bytes long.
 Data: < h(F*           > 98 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022A46286140, 16 bytes long.
 Data: <ph(F*           > 70 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022A46285C40, 16 bytes long.
 Data: <Hh(F*           > 48 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022A462860F0, 16 bytes long.
 Data: < h(F*           > 20 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022A46284FA0, 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 0x0000022A46285600, 16 bytes long.
 Data: <8 'F*           > 38 E8 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022A4627EF60, 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 0x0000022A46286500, 16 bytes long.
 Data: <  'F*           > 10 E8 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022A462863C0, 16 bytes long.
 Data: <  'F*           > E8 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022A46286050, 16 bytes long.
 Data: <  'F*           > C0 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022A46285BF0, 16 bytes long.
 Data: <  'F*           > 98 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022A46285D30, 16 bytes long.
 Data: <p 'F*           > 70 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022A462862D0, 16 bytes long.
 Data: <H 'F*           > 48 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022A4627F2C0, 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 0x0000022A46285FB0, 16 bytes long.
 Data: <  'F*           > 20 E7 27 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022A4627E720, 320 bytes long.
 Data: < _(F*     'F*   > B0 5F 28 46 2A 02 00 00 C0 F2 27 46 2A 02 00 00 
{278} normal block at 0x0000022A46285E20, 16 bytes long.
 Data: < h(F*           > 00 68 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022A46286370, 16 bytes long.
 Data: < g(F*           > D8 67 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022A4627F740, 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 0x0000022A46286550, 16 bytes long.
 Data: < g(F*           > B0 67 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022A4627EF00, 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 0x0000022A46285AB0, 16 bytes long.
 Data: < f(F*           > F8 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022A46285B50, 16 bytes long.
 Data: < f(F*           > D0 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022A46285BA0, 16 bytes long.
 Data: < f(F*           > A8 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022A46286320, 16 bytes long.
 Data: < f(F*           > 80 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022A462857E0, 16 bytes long.
 Data: <Xf(F*           > 58 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022A46285DD0, 16 bytes long.
 Data: <0f(F*           > 30 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022A46285B00, 16 bytes long.
 Data: <0O(F*           > 30 4F 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022A46284F30, 40 bytes long.
 Data: < [(F*     &F*   > 00 5B 28 46 2A 02 00 00 80 F5 26 46 2A 02 00 00 
{264} normal block at 0x0000022A46285830, 16 bytes long.
 Data: < f(F*           > 10 66 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022A46285F60, 16 bytes long.
 Data: < e(F*           > E8 65 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022A4627F500, 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 0x0000022A46285EC0, 16 bytes long.
 Data: < e(F*           > C0 65 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022A462865C0, 992 bytes long.
 Data: < ^(F*     'F*   > C0 5E 28 46 2A 02 00 00 00 F5 27 46 2A 02 00 00 
{96} normal block at 0x0000022A4627F9E0, 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 0x0000022A4627DAE0, 16 bytes long.
 Data: < P(F*           > F0 50 28 46 2A 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022A462850F0, 40 bytes long.
 Data: <  'F*     'F*   > E0 DA 27 46 2A 02 00 00 E0 F9 27 46 2A 02 00 00 
{73} normal block at 0x0000022A4627D7C0, 16 bytes long.
 Data: <                > 80 EA A0 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022A4627E120, 16 bytes long.
 Data: <@               > 40 E9 A0 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022A4627D6D0, 16 bytes long.
 Data: < W              > F8 57 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022A4627DB80, 16 bytes long.
 Data: < W              > D8 57 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022A4627D720, 16 bytes long.
 Data: <P               > 50 04 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022A4627DFE0, 16 bytes long.
 Data: <0               > 30 04 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022A4627DF90, 16 bytes long.
 Data: <                > E0 02 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022A4627DA90, 16 bytes long.
 Data: <                > 10 04 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022A4627D810, 16 bytes long.
 Data: <p               > 70 04 9D 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022A4627D400, 16 bytes long.
 Data: <                > 18 C0 9B 86 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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