Task 38662275

Name test_279-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND1569_0
Workunit 31605542
Created 24 Oct 2026, 18:30:22 UTC
Sent 24 Oct 2026, 18:33:35 UTC
Report deadline 29 Oct 2026, 18:33:35 UTC
Received 24 Oct 2026, 21:16:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 45 min 37 sec
CPU time 36 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.45 MB
Peak swap size 3.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:02:28 (44548): wrapper (7.9.26016): starting
20:02:28 (44548): 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
20:02:35 (44548): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:02:35 (44548): 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\0\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\0\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
20:45:25 (44548): C:/Windows/system32/cmd.exe exited; CPU time 2186.343750
20:45:25 (44548): 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: 71181895 bytes.
Dumping objects ->
{3835267} normal block at 0x0000026C74C70E70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000026C74C71180, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000026C74C70AF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x0000026C74C70850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000026C74C70D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000026C769AFBC0, 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) : {3835179} normal block at 0x0000026C769665E0, 8 bytes long.
 Data: <   ul   > 00 00 14 75 6C 02 00 00 
{3833969} normal block at 0x0000026C76966270, 8 bytes long.
 Data: <  &#156;vl   > 80 81 9C 76 6C 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000026C74C3CE20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000026C74C36190, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000026C74C4A780, 16 bytes long.
 Data: <H&#225;&#196;tl           > 48 E1 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026C74C4A690, 16 bytes long.
 Data: < &#225;&#196;tl           > 20 E1 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026C74C463B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000026C74C4A640, 16 bytes long.
 Data: <&#248;&#224;&#196;tl           > F8 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026C74C4A5F0, 16 bytes long.
 Data: <&#208;&#224;&#196;tl           > D0 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026C74C4A550, 16 bytes long.
 Data: <&#168;&#224;&#196;tl           > A8 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026C74C4A460, 16 bytes long.
 Data: < &#224;&#196;tl           > 80 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026C74C48480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000026C74C4A500, 16 bytes long.
 Data: <X&#219;&#196;tl           > 58 DB C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026C74C46DD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000026C74C4AFA0, 16 bytes long.
 Data: <0&#219;&#196;tl           > 30 DB C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026C74C4AF50, 16 bytes long.
 Data: < &#219;&#196;tl           > 08 DB C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026C74C4A0A0, 16 bytes long.
 Data: <&#224;&#218;&#196;tl           > E0 DA C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026C74C4AE10, 16 bytes long.
 Data: <&#184;&#218;&#196;tl           > B8 DA C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026C74C4A730, 16 bytes long.
 Data: < &#218;&#196;tl           > 90 DA C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026C74C4A820, 16 bytes long.
 Data: <h&#218;&#196;tl           > 68 DA C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026C74C46590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000026C74C4AF00, 16 bytes long.
 Data: <@&#218;&#196;tl           > 40 DA C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026C74C4DA40, 320 bytes long.
 Data: < &#175;&#196;tl    e&#196;tl   > 00 AF C4 74 6C 02 00 00 90 65 C4 74 6C 02 00 00 
{280} normal block at 0x0000026C74C4A4B0, 16 bytes long.
 Data: <`&#224;&#196;tl           > 60 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026C74C4A3C0, 16 bytes long.
 Data: <8&#224;&#196;tl           > 38 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026C74C462F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000026C74C4A230, 16 bytes long.
 Data: < &#224;&#196;tl           > 10 E0 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026C74C46290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000026C74C4AEB0, 16 bytes long.
 Data: <X&#223;&#196;tl           > 58 DF C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026C74C4AB90, 16 bytes long.
 Data: <0&#223;&#196;tl           > 30 DF C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026C74C4AE60, 16 bytes long.
 Data: < &#223;&#196;tl           > 08 DF C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026C74C4A370, 16 bytes long.
 Data: <&#224;&#222;&#196;tl           > E0 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026C74C4A1E0, 16 bytes long.
 Data: <&#184;&#222;&#196;tl           > B8 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026C74C4A0F0, 16 bytes long.
 Data: < &#222;&#196;tl           > 90 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026C74C4ADC0, 16 bytes long.
 Data: <@ &#196;tl           > 40 7F C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026C74C47F40, 40 bytes long.
 Data: <&#192;&#173;&#196;tl   &#192;&#251;&#154;vl   > C0 AD C4 74 6C 02 00 00 C0 FB 9A 76 6C 02 00 00 
{266} normal block at 0x0000026C74C4A5A0, 16 bytes long.
 Data: <p&#222;&#196;tl           > 70 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026C74C4A410, 16 bytes long.
 Data: <H&#222;&#196;tl           > 48 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026C74C468F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000026C74C4AB40, 16 bytes long.
 Data: < &#222;&#196;tl           > 20 DE C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026C74C4DE20, 992 bytes long.
 Data: <@&#171;&#196;tl   &#240;h&#196;tl   > 40 AB C4 74 6C 02 00 00 F0 68 C4 74 6C 02 00 00 
{98} normal block at 0x0000026C74C46CB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000026C74C4A190, 16 bytes long.
 Data: <&#208;&#133;&#196;tl           > D0 85 C4 74 6C 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000026C74C485D0, 40 bytes long.
 Data: < &#161;&#196;tl   &#176;l&#196;tl   > 90 A1 C4 74 6C 02 00 00 B0 6C C4 74 6C 02 00 00 
{75} normal block at 0x0000026C74C4ABE0, 16 bytes long.
 Data: < &#234;&#181;&#138;&#246;           > 80 EA B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000026C74C3D9D0, 16 bytes long.
 Data: <@&#233;&#181;&#138;&#246;           > 40 E9 B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026C74C3D8E0, 16 bytes long.
 Data: <&#248;W&#178;&#138;&#246;           > F8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026C74C3D250, 16 bytes long.
 Data: <&#216;W&#178;&#138;&#246;           > D8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026C74C3D200, 16 bytes long.
 Data: <P &#178;&#138;&#246;           > 50 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026C74C3DF70, 16 bytes long.
 Data: <0 &#178;&#138;&#246;           > 30 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026C74C3D980, 16 bytes long.
 Data: <&#224; &#178;&#138;&#246;           > E0 02 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026C74C3DF20, 16 bytes long.
 Data: <  &#178;&#138;&#246;           > 10 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026C74C3D7A0, 16 bytes long.
 Data: <p &#178;&#138;&#246;           > 70 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026C74C3D700, 16 bytes long.
 Data: < &#192;&#176;&#138;&#246;           > 18 C0 B0 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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