Task 38688880

Name test_435-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5744_1
Workunit 31630158
Created 28 Oct 2026, 16:39:38 UTC
Sent 28 Oct 2026, 16:39:43 UTC
Report deadline 2 Nov 2026, 16:39:43 UTC
Received 28 Oct 2026, 17:15:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 495923
Run time 19 min 4 sec
CPU time 18 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,792.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.57 MB
Peak swap size 9.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:56:59 (7008): wrapper (7.9.26016): starting
11:56:59 (7008): 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
11:57:00 (7008): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:57:00 (7008): 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
12:15:17 (7008): C:/Windows/system32/cmd.exe exited; CPU time 1092.578125
12:15:17 (7008): 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: 28057427 bytes.
Dumping objects ->
{3835236} normal block at 0x0000020E171015D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000020E17101100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000020E17101330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000020E17101170, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000020E17101560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000020E171F9B80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000020E1720F930, 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) : {3835147} normal block at 0x0000020E1544DFB0, 8 bytes long.
 Data: <  &#158;     > 00 00 9E 15 0E 02 00 00 
{3834547} normal block at 0x0000020E1720FD50, 102 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 0x0000020E1544E1E0, 8 bytes long.
 Data: <0F(     > 30 46 28 17 0E 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020E15452340, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000020E15443810, 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 0x0000020E15456210, 16 bytes long.
 Data: < qE             > 88 71 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020E154561C0, 16 bytes long.
 Data: <`qE             > 60 71 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020E1544FDE0, 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 0x0000020E15456710, 16 bytes long.
 Data: <8qE             > 38 71 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020E15456850, 16 bytes long.
 Data: < qE             > 10 71 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020E154562B0, 16 bytes long.
 Data: <&#232;pE             > E8 70 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020E154560D0, 16 bytes long.
 Data: <&#192;pE             > C0 70 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020E154507A0, 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 0x0000020E15456DF0, 16 bytes long.
 Data: < &#150;D             > 88 96 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020E15450620, 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 0x0000020E15456D50, 16 bytes long.
 Data: <`&#150;D             > 60 96 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020E15456670, 16 bytes long.
 Data: <8&#150;D             > 38 96 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020E154566C0, 16 bytes long.
 Data: < &#150;D             > 10 96 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020E15456260, 16 bytes long.
 Data: <&#232;&#149;D             > E8 95 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020E15456350, 16 bytes long.
 Data: <&#192;&#149;D             > C0 95 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020E15456620, 16 bytes long.
 Data: < &#149;D             > 98 95 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020E1544F720, 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 0x0000020E15456120, 16 bytes long.
 Data: <p&#149;D             > 70 95 44 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020E15449570, 320 bytes long.
 Data: < aE      &#247;D     > 20 61 45 15 0E 02 00 00 20 F7 44 15 0E 02 00 00 
{280} normal block at 0x0000020E15456580, 16 bytes long.
 Data: <&#160;pE             > A0 70 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020E15456A80, 16 bytes long.
 Data: <xpE             > 78 70 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020E1544FA20, 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 0x0000020E15455F90, 16 bytes long.
 Data: <PpE             > 50 70 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020E15450560, 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 0x0000020E15456300, 16 bytes long.
 Data: < oE             > 98 6F 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020E15456170, 16 bytes long.
 Data: <poE             > 70 6F 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020E15455EF0, 16 bytes long.
 Data: <HoE             > 48 6F 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020E15456CB0, 16 bytes long.
 Data: < oE             > 20 6F 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020E15456080, 16 bytes long.
 Data: <&#248;nE             > F8 6E 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020E15455F40, 16 bytes long.
 Data: <&#208;nE             > D0 6E 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020E15456800, 16 bytes long.
 Data: <&#192; E             > C0 0D 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020E15450DC0, 40 bytes long.
 Data: < hE      &#155;      > 00 68 45 15 0E 02 00 00 80 9B 1F 17 0E 02 00 00 
{266} normal block at 0x0000020E15456BC0, 16 bytes long.
 Data: <&#176;nE             > B0 6E 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020E15455EA0, 16 bytes long.
 Data: < nE             > 88 6E 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020E15450260, 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 0x0000020E15456030, 16 bytes long.
 Data: <`nE             > 60 6E 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020E15456E60, 992 bytes long.
 Data: <0`E     ` E     > 30 60 45 15 0E 02 00 00 60 02 45 15 0E 02 00 00 
{98} normal block at 0x0000020E154503E0, 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 0x0000020E1544DBA0, 16 bytes long.
 Data: <@ E             > 40 0A 45 15 0E 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000020E15450A40, 40 bytes long.
 Data: <&#160;&#219;D     &#224; E     > A0 DB 44 15 0E 02 00 00 E0 03 45 15 0E 02 00 00 
{75} normal block at 0x0000020E1544E280, 16 bytes long.
 Data: < &#234;&#162;&#229;&#246;           > 80 EA A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000020E1544DC40, 16 bytes long.
 Data: <@&#233;&#162;&#229;&#246;           > 40 E9 A2 E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000020E1544DBF0, 16 bytes long.
 Data: <&#248;W&#159;&#229;&#246;           > F8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000020E1544E230, 16 bytes long.
 Data: <&#216;W&#159;&#229;&#246;           > D8 57 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000020E1544DAB0, 16 bytes long.
 Data: <P &#159;&#229;&#246;           > 50 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000020E1544DC90, 16 bytes long.
 Data: <0 &#159;&#229;&#246;           > 30 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020E1544E0A0, 16 bytes long.
 Data: <&#224; &#159;&#229;&#246;           > E0 02 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020E1544DB00, 16 bytes long.
 Data: <  &#159;&#229;&#246;           > 10 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020E1544E460, 16 bytes long.
 Data: <p &#159;&#229;&#246;           > 70 04 9F E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020E1544DF10, 16 bytes long.
 Data: < &#192; &#229;&#246;           > 18 C0 9D E5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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