Task 38688649

Name test_569-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3902_0
Workunit 31629979
Created 28 Oct 2026, 15:21:12 UTC
Sent 28 Oct 2026, 15:21:20 UTC
Report deadline 2 Nov 2026, 15:21:20 UTC
Received 28 Oct 2026, 15:59:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 56 sec
CPU time 27 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.42 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:30:21 (27176): wrapper (7.9.26016): starting
15:30:21 (27176): 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
15:30:22 (27176): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:30:22 (27176): 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
15:59:11 (27176): C:/Windows/system32/cmd.exe exited; CPU time 1639.671875
15:59:11 (27176): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26312087 bytes.
Dumping objects ->
{3835306} normal block at 0x0000020E1A043BB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000020E18214B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000020E182148A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000020E18214830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000020E182147C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000020E19FBC100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000020E19FCEE10, 102 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) : {3835217} normal block at 0x0000020E1820FD90, 8 bytes long.
 Data: <  k     > 00 00 6B 18 0E 02 00 00 
{3834571} normal block at 0x0000020E19FCEB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000020E18210240, 8 bytes long.
 Data: < &#161;#     > 10 A1 23 18 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020E18210670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020E18206000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020E18215440, 16 bytes long.
 Data: <8f!             > 38 66 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020E18215CB0, 16 bytes long.
 Data: < f!             > 10 66 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020E1820EE30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000020E18215C60, 16 bytes long.
 Data: <&#232;e!             > E8 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020E18215EE0, 16 bytes long.
 Data: <&#192;e!             > C0 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020E182153A0, 16 bytes long.
 Data: < e!             > 98 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E182161B0, 16 bytes long.
 Data: <pe!             > 70 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E18214BB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020E182154E0, 16 bytes long.
 Data: <&#168;               > A8 8F 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020E1820E710, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020E18215B70, 16 bytes long.
 Data: <                > 80 8F 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020E18216250, 16 bytes long.
 Data: <X               > 58 8F 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E18216110, 16 bytes long.
 Data: <0               > 30 8F 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020E182160C0, 16 bytes long.
 Data: <                > 08 8F 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E18215F80, 16 bytes long.
 Data: <&#224;&#142;              > E0 8E 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E18215990, 16 bytes long.
 Data: <&#184;&#142;              > B8 8E 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020E1820F4F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020E18215350, 16 bytes long.
 Data: < &#142;              > 90 8E 20 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020E18208E90, 320 bytes long.
 Data: <PS!     &#240;&#244;      > 50 53 21 18 0E 02 00 00 F0 F4 20 18 0E 02 00 00 
{274} normal block at 0x0000020E18216160, 16 bytes long.
 Data: <Pe!             > 50 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E18215D00, 16 bytes long.
 Data: <(e!             > 28 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E1820F310, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000020E18215850, 16 bytes long.
 Data: < e!             > 00 65 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E1820EDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020E18215E40, 16 bytes long.
 Data: <Hd!             > 48 64 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E18215A30, 16 bytes long.
 Data: < d!             > 20 64 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E18215E90, 16 bytes long.
 Data: <&#248;c!             > F8 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020E18216070, 16 bytes long.
 Data: <&#208;c!             > D0 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E18216020, 16 bytes long.
 Data: <&#168;c!             > A8 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E18215C10, 16 bytes long.
 Data: < c!             > 80 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E18215B20, 16 bytes long.
 Data: < F!             > 00 46 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020E18214600, 40 bytes long.
 Data: < [!      &#193;&#251;     > 20 5B 21 18 0E 02 00 00 00 C1 FB 19 0E 02 00 00 
{260} normal block at 0x0000020E18215FD0, 16 bytes long.
 Data: <`c!             > 60 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020E182162A0, 16 bytes long.
 Data: <8c!             > 38 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020E1820EEF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020E18215670, 16 bytes long.
 Data: < c!             > 10 63 21 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020E18216310, 992 bytes long.
 Data: <pV!     &#240;&#238;      > 70 56 21 18 0E 02 00 00 F0 EE 20 18 0E 02 00 00 
{92} normal block at 0x0000020E1820F070, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000020E1820FC00, 16 bytes long.
 Data: <@&#199;              > 40 C7 1F 18 0E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000020E181FC740, 40 bytes long.
 Data: < &#252;      p&#240;      > 00 FC 20 18 0E 02 00 00 70 F0 20 18 0E 02 00 00 
{69} normal block at 0x0000020E1820FD40, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020E182100B0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020E1820F9D0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020E18210010, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020E1820F660, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020E1820FF20, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020E1820F7F0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020E1820F700, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020E18210290, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020E1820F7A0, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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