Task 38684288

Name test_426-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND5205_0
Workunit 31625807
Created 27 Oct 2026, 15:39:29 UTC
Sent 27 Oct 2026, 15:39:32 UTC
Report deadline 1 Nov 2026, 15:39:32 UTC
Received 27 Oct 2026, 21:32:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590980
Run time 3 hours 19 min 3 sec
CPU time 3 hours 0 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,947.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.24 MB
Peak swap size 6.89 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:14:41 (9792): wrapper (7.9.26016): starting
19:14:41 (9792): 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
19:14:43 (9792): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:14:43 (9792): 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\17\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\17\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
22:31:46 (9792): C:/Windows/system32/cmd.exe exited; CPU time 10849.375000
22:31:46 (9792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 219226697 bytes.
Dumping objects ->
{3835472} normal block at 0x000002265F7CF070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835461} normal block at 0x000002265F7CE820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x000002265F7CE2E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835439} normal block at 0x000002265DBA6030, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835428} normal block at 0x000002265DBA5FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835397} normal block at 0x000002265F81C090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835386} normal block at 0x000002265DC0B140, 141 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) : {3835383} normal block at 0x000002265DBA0C40, 8 bytes long.
 Data: <  &#251;]&   > 00 00 FB 5D 26 02 00 00 
{3834665} normal block at 0x000002265DC0A920, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000002265DBA0880, 8 bytes long.
 Data: < &#195;&#188;]&   > 00 C3 BC 5D 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002265DB98640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002265DB8F0E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000002265DBA72C0, 16 bytes long.
 Data: < x&#186;]&           > 88 78 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002265DBA66E0, 16 bytes long.
 Data: <`x&#186;]&           > 60 78 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002265DBA2560, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000002265DBA68C0, 16 bytes long.
 Data: <8x&#186;]&           > 38 78 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002265DBA7090, 16 bytes long.
 Data: < x&#186;]&           > 10 78 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002265DBA6C80, 16 bytes long.
 Data: <&#232;w&#186;]&           > E8 77 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002265DBA6690, 16 bytes long.
 Data: <&#192;w&#186;]&           > C0 77 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002265DBA5D90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000002265DBA6C30, 16 bytes long.
 Data: <H&#203;&#184;]&           > 48 CB B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002265DBA2080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000002265DBA6BE0, 16 bytes long.
 Data: < &#203;&#184;]&           > 20 CB B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002265DBA69B0, 16 bytes long.
 Data: <&#248;&#202;&#184;]&           > F8 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002265DBA7130, 16 bytes long.
 Data: <&#208;&#202;&#184;]&           > D0 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002265DBA7040, 16 bytes long.
 Data: <&#168;&#202;&#184;]&           > A8 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002265DBA6730, 16 bytes long.
 Data: < &#202;&#184;]&           > 80 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002265DBA6960, 16 bytes long.
 Data: <X&#202;&#184;]&           > 58 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002265DBA21A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000002265DBA6B40, 16 bytes long.
 Data: <0&#202;&#184;]&           > 30 CA B8 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002265DB8CA30, 320 bytes long.
 Data: <@k&#186;]&   &#160;!&#186;]&   > 40 6B BA 5D 26 02 00 00 A0 21 BA 5D 26 02 00 00 
{280} normal block at 0x000002265DBA6FF0, 16 bytes long.
 Data: <&#160;w&#186;]&           > A0 77 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002265DBA6F50, 16 bytes long.
 Data: <xw&#186;]&           > 78 77 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002265DBA1A20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000002265DBA6640, 16 bytes long.
 Data: <Pw&#186;]&           > 50 77 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002265DBA25C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000002265DBA65A0, 16 bytes long.
 Data: < v&#186;]&           > 98 76 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002265DBA6AF0, 16 bytes long.
 Data: <pv&#186;]&           > 70 76 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002265DBA7400, 16 bytes long.
 Data: <Hv&#186;]&           > 48 76 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002265DBA6910, 16 bytes long.
 Data: < v&#186;]&           > 20 76 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002265DBA6870, 16 bytes long.
 Data: <&#248;u&#186;]&           > F8 75 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002265DBA7450, 16 bytes long.
 Data: <&#208;u&#186;]&           > D0 75 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002265DBA6F00, 16 bytes long.
 Data: <&#160;`&#186;]&           > A0 60 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002265DBA60A0, 40 bytes long.
 Data: < o&#186;]&    &#192; _&   > 00 6F BA 5D 26 02 00 00 90 C0 81 5F 26 02 00 00 
{266} normal block at 0x000002265DBA6AA0, 16 bytes long.
 Data: <&#176;u&#186;]&           > B0 75 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002265DBA6B90, 16 bytes long.
 Data: < u&#186;]&           > 88 75 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002265DBA1F00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000002265DBA6A50, 16 bytes long.
 Data: <`u&#186;]&           > 60 75 BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002265DBA7560, 992 bytes long.
 Data: <Pj&#186;]&     &#186;]&   > 50 6A BA 5D 26 02 00 00 00 1F BA 5D 26 02 00 00 
{98} normal block at 0x000002265DBA2140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000002265DBA0D30, 16 bytes long.
 Data: <&#208;[&#186;]&           > D0 5B BA 5D 26 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000002265DBA5BD0, 40 bytes long.
 Data: <0 &#186;]&   @!&#186;]&   > 30 0D BA 5D 26 02 00 00 40 21 BA 5D 26 02 00 00 
{75} normal block at 0x000002265DBA0B00, 16 bytes long.
 Data: < &#234; &#145;&#246;           > 80 EA 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002265DBA0920, 16 bytes long.
 Data: <@&#233; &#145;&#246;           > 40 E9 0B 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002265DBA1230, 16 bytes long.
 Data: <&#248;W &#145;&#246;           > F8 57 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002265DBA0BF0, 16 bytes long.
 Data: <&#216;W &#145;&#246;           > D8 57 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002265DBA1690, 16 bytes long.
 Data: <P  &#145;&#246;           > 50 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002265DBA1140, 16 bytes long.
 Data: <0  &#145;&#246;           > 30 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002265DBA15F0, 16 bytes long.
 Data: <&#224;  &#145;&#246;           > E0 02 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002265DBA1640, 16 bytes long.
 Data: <   &#145;&#246;           > 10 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002265DBA15A0, 16 bytes long.
 Data: <p  &#145;&#246;           > 70 04 08 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002265DBA0A60, 16 bytes long.
 Data: < &#192; &#145;&#246;           > 18 C0 06 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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