Task 38680596

Name test_668-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND9757_0
Workunit 31622310
Created 27 Oct 2026, 0:34:17 UTC
Sent 27 Oct 2026, 0:34:25 UTC
Report deadline 1 Nov 2026, 0:34:25 UTC
Received 27 Oct 2026, 1:34:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 15 min 34 sec
CPU time 14 min 30 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 762.48 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>
09:54:24 (3512): wrapper (7.9.26016): starting
09:54:24 (3512): 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
09:54:25 (3512): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:54:25 (3512): 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
10:09:11 (3512): C:/Windows/system32/cmd.exe exited; CPU time 870.218750
10:09:11 (3512): 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: 17371455 bytes.
Dumping objects ->
{3835586} normal block at 0x00000149BB149050, 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 0x00000149BB149830, 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 0x00000149BB124530, 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 0x00000149BB124BC0, 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 0x00000149BB1248B0, 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 0x00000149BD228880, 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 0x00000149BD23C9A0, 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 0x00000149BB11F110, 8 bytes long.
 Data: <  f&#187;I   > 00 00 66 BB 49 01 00 00 
{3834771} normal block at 0x00000149BD23D440, 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 0x00000149BB11F070, 8 bytes long.
 Data: < @+&#189;I   > 90 40 2B BD 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000149BB1208F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000149BB115BF0, 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 0x00000149BB1256C0, 16 bytes long.
 Data: <(U &#187;I           > 28 55 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000149BB126160, 16 bytes long.
 Data: < U &#187;I           > 00 55 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000149BB11D300, 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 0x00000149BB125B20, 16 bytes long.
 Data: <&#216;T &#187;I           > D8 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000149BB126110, 16 bytes long.
 Data: <&#176;T &#187;I           > B0 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149BB126200, 16 bytes long.
 Data: < T &#187;I           > 88 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000149BB125F80, 16 bytes long.
 Data: <`T &#187;I           > 60 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000149BB124A00, 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 0x00000149BB125A80, 16 bytes long.
 Data: < N &#187;I           > 08 4E 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000149BB11CFA0, 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 0x00000149BB1265C0, 16 bytes long.
 Data: < M &#187;I           > E0 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149BB125E40, 16 bytes long.
 Data: <&#184;M &#187;I           > B8 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149BB125670, 16 bytes long.
 Data: < M &#187;I           > 90 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000149BB125D50, 16 bytes long.
 Data: <hM &#187;I           > 68 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149BB125AD0, 16 bytes long.
 Data: <@M &#187;I           > 40 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000149BB125940, 16 bytes long.
 Data: < M &#187;I           > 18 4D 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000149BB11D2A0, 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 0x00000149BB125800, 16 bytes long.
 Data: < L &#187;I           > F0 4C 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000149BB124CF0, 320 bytes long.
 Data: < X &#187;I    &#210; &#187;I   > 00 58 12 BB 49 01 00 00 A0 D2 11 BB 49 01 00 00 
{277} normal block at 0x00000149BB125EE0, 16 bytes long.
 Data: <@T &#187;I           > 40 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000149BB125F30, 16 bytes long.
 Data: < T &#187;I           > 18 54 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149BB11CD00, 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 0x00000149BB126250, 16 bytes long.
 Data: < S &#187;I           > F0 53 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000149BB11D840, 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 0x00000149BB1260C0, 16 bytes long.
 Data: <8S &#187;I           > 38 53 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000149BB125D00, 16 bytes long.
 Data: < S &#187;I           > 10 53 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149BB125CB0, 16 bytes long.
 Data: < R &#187;I           > E8 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149BB1257B0, 16 bytes long.
 Data: <&#192;R &#187;I           > C0 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000149BB1263E0, 16 bytes long.
 Data: < R &#187;I           > 98 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000149BB11EFD0, 16 bytes long.
 Data: <pR &#187;I           > 70 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000149BB11F020, 16 bytes long.
 Data: < F &#187;I           > 10 46 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149BB124610, 40 bytes long.
 Data: <   &#187;I     "&#189;I   > 20 F0 11 BB 49 01 00 00 80 88 22 BD 49 01 00 00 
{263} normal block at 0x00000149BB11EF80, 16 bytes long.
 Data: <PR &#187;I           > 50 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149BB11E9E0, 16 bytes long.
 Data: <(R &#187;I           > 28 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149BB11D240, 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 0x00000149BB11EF30, 16 bytes long.
 Data: < R &#187;I           > 00 52 12 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000149BB125200, 992 bytes long.
 Data: <0  &#187;I   @&#210; &#187;I   > 30 EF 11 BB 49 01 00 00 40 D2 11 BB 49 01 00 00 
{95} normal block at 0x00000149BB11D120, 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 0x00000149BB11EBC0, 16 bytes long.
 Data: < &#184; &#187;I           > 10 B8 10 BB 49 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000149BB10B810, 40 bytes long.
 Data: <&#192;  &#187;I    &#209; &#187;I   > C0 EB 11 BB 49 01 00 00 20 D1 11 BB 49 01 00 00 
{70} normal block at 0x00000149BB11ED50, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000149BB11F340, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000149BB11ED00, 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 0x00000149BB11F0C0, 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 0x00000149BB11EC60, 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 0x00000149BB11E6C0, 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 0x00000149BB11EE90, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000149BB11EB70, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000149BB11F2F0, 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 0x00000149BB11F250, 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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