Task 38680497

Name test_871-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6506_0
Workunit 31622216
Created 27 Oct 2026, 0:12:02 UTC
Sent 27 Oct 2026, 0:12:17 UTC
Report deadline 1 Nov 2026, 0:12:17 UTC
Received 27 Oct 2026, 0:36:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 16 min 16 sec
CPU time 14 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.64 MB
Peak swap size 10.17 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:20:36 (3348): wrapper (7.9.26016): starting
09:20:36 (3348): 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
09:20:37 (3348): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:20:37 (3348): 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\22\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\22\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
09:36:07 (3348): C:/Windows/system32/cmd.exe exited; CPU time 853.515625
09:36:07 (3348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 18541165 bytes.
Dumping objects ->
{3835586} normal block at 0x0000019067BE86E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x0000019067BE7E90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000019065B556D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x0000019065B55580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000019065B55430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x0000019067BFB4D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x0000019067C0D230, 100 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) : {3835497} normal block at 0x0000019065B4FB40, 8 bytes long.
 Data: <   e    > 00 00 F6 65 90 01 00 00 
{3834771} normal block at 0x0000019067C0C150, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000019065B50950, 8 bytes long.
 Data: < 5&#197;g    > 20 35 C5 67 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019065B4DDF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019065B40F30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000019065B561E0, 16 bytes long.
 Data: < _&#181;e            > 08 5F B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019065B56B40, 16 bytes long.
 Data: < ^&#181;e            > E0 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019065B4F250, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000019065B56690, 16 bytes long.
 Data: <&#184;^&#181;e            > B8 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019065B56500, 16 bytes long.
 Data: < ^&#181;e            > 90 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019065B565F0, 16 bytes long.
 Data: <h^&#181;e            > 68 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019065B56820, 16 bytes long.
 Data: <@^&#181;e            > 40 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019065B55740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000019065B564B0, 16 bytes long.
 Data: < Y&#181;e            > 18 59 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019065B4F070, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000019065B56FA0, 16 bytes long.
 Data: < X&#181;e            > F0 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019065B56E60, 16 bytes long.
 Data: <&#200;X&#181;e            > C8 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019065B56460, 16 bytes long.
 Data: < X&#181;e            > A0 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019065B56E10, 16 bytes long.
 Data: <xX&#181;e            > 78 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019065B56640, 16 bytes long.
 Data: <PX&#181;e            > 50 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019065B56230, 16 bytes long.
 Data: <(X&#181;e            > 28 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019065B4F5B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000019065B563C0, 16 bytes long.
 Data: < X&#181;e            > 00 58 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019065B55800, 320 bytes long.
 Data: <&#192;c&#181;e    &#176; &#180;e    > C0 63 B5 65 90 01 00 00 B0 F5 B4 65 90 01 00 00 
{277} normal block at 0x0000019065B565A0, 16 bytes long.
 Data: < ^&#181;e            > 20 5E B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019065B56410, 16 bytes long.
 Data: < ]&#181;e            > F8 5D B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019065B4F670, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000019065B56370, 16 bytes long.
 Data: <&#208;]&#181;e            > D0 5D B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019065B4F0D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000019065B56320, 16 bytes long.
 Data: < ]&#181;e            > 18 5D B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019065B567D0, 16 bytes long.
 Data: < \&#181;e            > F0 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019065B56A50, 16 bytes long.
 Data: <&#200;\&#181;e            > C8 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019065B56280, 16 bytes long.
 Data: < \&#181;e            > A0 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019065B562D0, 16 bytes long.
 Data: <x\&#181;e            > 78 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019065B4FF50, 16 bytes long.
 Data: <P\&#181;e            > 50 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019065B50A40, 16 bytes long.
 Data: <PS&#181;e            > 50 53 B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019065B55350, 40 bytes long.
 Data: <@ &#181;e    &#208;&#180;&#191;g    > 40 0A B5 65 90 01 00 00 D0 B4 BF 67 90 01 00 00 
{263} normal block at 0x0000019065B50090, 16 bytes long.
 Data: <0\&#181;e            > 30 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019065B50860, 16 bytes long.
 Data: < \&#181;e            > 08 5C B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019065B4F910, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000019065B50630, 16 bytes long.
 Data: < [&#181;e            > E0 5B B5 65 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019065B55BE0, 992 bytes long.
 Data: <0 &#181;e      &#180;e    > 30 06 B5 65 90 01 00 00 10 F9 B4 65 90 01 00 00 
{95} normal block at 0x0000019065B4EFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000019065B4FB90, 16 bytes long.
 Data: < &#223;&#179;e            > 00 DF B3 65 90 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019065B3DF00, 40 bytes long.
 Data: <  &#180;e    &#176; &#180;e    > 90 FB B4 65 90 01 00 00 B0 EF B4 65 90 01 00 00 
{70} normal block at 0x0000019065B50270, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019065B50900, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019065B508B0, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019065B504F0, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019065B4FD20, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019065B50220, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019065B50810, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019065B504A0, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019065B50450, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019065B500E0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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