Task 38675121

Name test_782-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND6811_0
Workunit 31617118
Created 26 Oct 2026, 7:19:13 UTC
Sent 26 Oct 2026, 7:19:24 UTC
Report deadline 31 Oct 2026, 7:19:24 UTC
Received 26 Oct 2026, 9:16:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 24 sec
CPU time 29 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.89 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:47:27 (6400): wrapper (7.9.26016): starting
09:47:27 (6400): 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
09:47:28 (6400): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:47:28 (6400): 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
10:16:05 (6400): C:/Windows/system32/cmd.exe exited; CPU time 1747.546875
10:16:05 (6400): 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: 20124513 bytes.
Dumping objects ->
{3835245} normal block at 0x000002522A760D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002522A760AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002522A760CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002522A7614F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002522A7612C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002522A80C020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x000002522A7A6E90, 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) : {3835156} normal block at 0x0000025228B27A10, 8 bytes long.
 Data: <  &#173;(R   > 00 00 AD 28 52 02 00 00 
{3834558} normal block at 0x000002522A7A6DC0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000025228B280A0, 8 bytes long.
 Data: <&#240;k *R   > F0 6B 8F 2A 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000025228B32150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025228B33090, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000025228B331E0, 16 bytes long.
 Data: <(F&#179;(R           > 28 46 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025228B34040, 16 bytes long.
 Data: < F&#179;(R           > 00 46 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025228B2E060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000025228B33A00, 16 bytes long.
 Data: <&#216;E&#179;(R           > D8 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025228B33FF0, 16 bytes long.
 Data: <&#176;E&#179;(R           > B0 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025228B33910, 16 bytes long.
 Data: < E&#179;(R           > 88 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025228B33730, 16 bytes long.
 Data: <`E&#179;(R           > 60 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025228B2C0A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000025228B33F50, 16 bytes long.
 Data: <(0&#179;(R           > 28 30 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025228B2E000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000025228B337D0, 16 bytes long.
 Data: < 0&#179;(R           > 00 30 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025228B33640, 16 bytes long.
 Data: <&#216;/&#179;(R           > D8 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025228B33E60, 16 bytes long.
 Data: <&#176;/&#179;(R           > B0 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025228B333C0, 16 bytes long.
 Data: < /&#179;(R           > 88 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025228B33E10, 16 bytes long.
 Data: <`/&#179;(R           > 60 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025228B33280, 16 bytes long.
 Data: <8/&#179;(R           > 38 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025228B2DE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000025228B33F00, 16 bytes long.
 Data: < /&#179;(R           > 10 2F B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025228B32F10, 320 bytes long.
 Data: < ?&#179;(R    &#222;&#178;(R   > 00 3F B3 28 52 02 00 00 20 DE B2 28 52 02 00 00 
{279} normal block at 0x0000025228B33DC0, 16 bytes long.
 Data: <@E&#179;(R           > 40 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025228B339B0, 16 bytes long.
 Data: < E&#179;(R           > 18 45 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025228B2D520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000025228B33D20, 16 bytes long.
 Data: <&#240;D&#179;(R           > F0 44 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025228B2DCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000025228B33780, 16 bytes long.
 Data: <8D&#179;(R           > 38 44 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025228B33CD0, 16 bytes long.
 Data: < D&#179;(R           > 10 44 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025228B33190, 16 bytes long.
 Data: <&#232;C&#179;(R           > E8 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025228B336E0, 16 bytes long.
 Data: <&#192;C&#179;(R           > C0 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025228B33FA0, 16 bytes long.
 Data: < C&#179;(R           > 98 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025228B33C80, 16 bytes long.
 Data: <pC&#179;(R           > 70 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025228B33C30, 16 bytes long.
 Data: <@&#195;&#178;(R           > 40 C3 B2 28 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025228B2C340, 40 bytes long.
 Data: <0<&#179;(R    &#192; *R   > 30 3C B3 28 52 02 00 00 20 C0 80 2A 52 02 00 00 
{265} normal block at 0x0000025228B33AF0, 16 bytes long.
 Data: <PC&#179;(R           > 50 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025228B33AA0, 16 bytes long.
 Data: <(C&#179;(R           > 28 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025228B2DDC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000025228B33B40, 16 bytes long.
 Data: < C&#179;(R           > 00 43 B3 28 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025228B34300, 992 bytes long.
 Data: <@;&#179;(R   &#192;&#221;&#178;(R   > 40 3B B3 28 52 02 00 00 C0 DD B2 28 52 02 00 00 
{97} normal block at 0x0000025228B2D820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000025228B27920, 16 bytes long.
 Data: <&#240;&#193;&#178;(R           > F0 C1 B2 28 52 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000025228B2C1F0, 40 bytes long.
 Data: < y&#178;(R    &#216;&#178;(R   > 20 79 B2 28 52 02 00 00 20 D8 B2 28 52 02 00 00 
{74} normal block at 0x0000025228B27880, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025228B27830, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025228B27380, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025228B277E0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025228B27C40, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025228B27740, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025228B274C0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025228B276F0, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025228B27790, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025228B27E70, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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