Task 38682441

Name test_420-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9670_0
Workunit 31624055
Created 27 Oct 2026, 7:47:57 UTC
Sent 27 Oct 2026, 7:48:02 UTC
Report deadline 1 Nov 2026, 7:48:02 UTC
Received 27 Oct 2026, 8:38:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 29 sec
CPU time 23 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.41 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:15:42 (27948): wrapper (7.9.26016): starting
09:15:42 (27948): 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
09:15:43 (27948): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:15:43 (27948): 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\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\BOINC\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:38:31 (27948): C:/Windows/system32/cmd.exe exited; CPU time 1381.109375
09:38:31 (27948): 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: 23308923 bytes.
Dumping objects ->
{3835329} normal block at 0x0000021AD09E3A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x0000021AD09E38F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x0000021AD09E39D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x0000021AD09E33B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000021AD09E3960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x0000021AD090DEE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000021ACEC79B60, 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) : {3835240} normal block at 0x0000021ACEC0D300, 8 bytes long.
 Data: <  &#130;&#208;    > 00 00 82 D0 1A 02 00 00 
{3834594} normal block at 0x0000021ACEC7A790, 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 0x0000021ACEC0DAD0, 8 bytes long.
 Data: < s&#154;&#208;    > 10 73 9A D0 1A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021ACEC10D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021ACEBFF5C0, 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 0x0000021ACEC16110, 16 bytes long.
 Data: <&#232;e&#193;&#206;            > E8 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021ACEC15350, 16 bytes long.
 Data: <&#192;e&#193;&#206;            > C0 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021ACEC0F440, 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 0x0000021ACEC15C60, 16 bytes long.
 Data: < e&#193;&#206;            > 98 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021ACEC157B0, 16 bytes long.
 Data: <pe&#193;&#206;            > 70 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021ACEC15A80, 16 bytes long.
 Data: <He&#193;&#206;            > 48 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021ACEC159E0, 16 bytes long.
 Data: < e&#193;&#206;            > 20 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021ACEC138A0, 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 0x0000021ACEC15D00, 16 bytes long.
 Data: < &#182;&#191;&#206;            > 88 B6 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021ACEC0F380, 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 0x0000021ACEC16070, 16 bytes long.
 Data: <`&#182;&#191;&#206;            > 60 B6 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021ACEC15EE0, 16 bytes long.
 Data: <8&#182;&#191;&#206;            > 38 B6 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021ACEC15990, 16 bytes long.
 Data: < &#182;&#191;&#206;            > 10 B6 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021ACEC15760, 16 bytes long.
 Data: <&#232;&#181;&#191;&#206;            > E8 B5 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021ACEC16250, 16 bytes long.
 Data: <&#192;&#181;&#191;&#206;            > C0 B5 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021ACEC16020, 16 bytes long.
 Data: < &#181;&#191;&#206;            > 98 B5 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021ACEC0EC00, 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 0x0000021ACEC15A30, 16 bytes long.
 Data: <p&#181;&#191;&#206;            > 70 B5 BF CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021ACEBFB570, 320 bytes long.
 Data: <0Z&#193;&#206;     &#236;&#192;&#206;    > 30 5A C1 CE 1A 02 00 00 00 EC C0 CE 1A 02 00 00 
{279} normal block at 0x0000021ACEC15670, 16 bytes long.
 Data: < e&#193;&#206;            > 00 65 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021ACEC158A0, 16 bytes long.
 Data: <&#216;d&#193;&#206;            > D8 64 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021ACEC0F320, 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 0x0000021ACEC154E0, 16 bytes long.
 Data: <&#176;d&#193;&#206;            > B0 64 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021ACEC0F020, 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 0x0000021ACEC15DA0, 16 bytes long.
 Data: <&#248;c&#193;&#206;            > F8 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021ACEC15300, 16 bytes long.
 Data: <&#208;c&#193;&#206;            > D0 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021ACEC15490, 16 bytes long.
 Data: <&#168;c&#193;&#206;            > A8 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021ACEC15850, 16 bytes long.
 Data: < c&#193;&#206;            > 80 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021ACEC15620, 16 bytes long.
 Data: <Xc&#193;&#206;            > 58 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021ACEC15940, 16 bytes long.
 Data: <0c&#193;&#206;            > 30 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021ACEC15CB0, 16 bytes long.
 Data: <&#208;3&#193;&#206;            > D0 33 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021ACEC133D0, 40 bytes long.
 Data: <&#176;\&#193;&#206;    &#224;&#222; &#208;    > B0 5C C1 CE 1A 02 00 00 E0 DE 90 D0 1A 02 00 00 
{265} normal block at 0x0000021ACEC15C10, 16 bytes long.
 Data: < c&#193;&#206;            > 10 63 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021ACEC16200, 16 bytes long.
 Data: <&#232;b&#193;&#206;            > E8 62 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021ACEC0F200, 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 0x0000021ACEC161B0, 16 bytes long.
 Data: <&#192;b&#193;&#206;            > C0 62 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021ACEC162C0, 992 bytes long.
 Data: <&#176;a&#193;&#206;     &#242;&#192;&#206;    > B0 61 C1 CE 1A 02 00 00 00 F2 C0 CE 1A 02 00 00 
{97} normal block at 0x0000021ACEC0F500, 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 0x0000021ACEC0D2B0, 16 bytes long.
 Data: < 9&#193;&#206;            > 80 39 C1 CE 1A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021ACEC13980, 40 bytes long.
 Data: <&#176;&#210;&#192;&#206;     &#245;&#192;&#206;    > B0 D2 C0 CE 1A 02 00 00 00 F5 C0 CE 1A 02 00 00 
{74} normal block at 0x0000021ACEC0D800, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021ACEC0DA80, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021ACEC0D530, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021ACEC0DA30, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021ACEC0D260, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021ACEC0D080, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021ACEC0DC10, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021ACEC0DD50, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021ACEC0D5D0, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021ACEC0DBC0, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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