Task 38689230

Name test_414-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND0826_0
Workunit 31630499
Created 28 Oct 2026, 19:21:45 UTC
Sent 28 Oct 2026, 19:21:48 UTC
Report deadline 2 Nov 2026, 19:21:48 UTC
Received 28 Oct 2026, 20:14:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 15 sec
CPU time 25 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.18 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:46:14 (28676): wrapper (7.9.26016): starting
15:46:14 (28676): 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
15:46:15 (28676): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:46:15 (28676): 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\21\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\21\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
16:13:00 (28676): C:/Windows/system32/cmd.exe exited; CPU time 1501.968750
16:13:00 (28676): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 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: 32321049 bytes.
Dumping objects ->
{3835236} normal block at 0x0000018691014F20, 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 0x0000018691014CF0, 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 0x0000018691015150, 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 0x0000018691014C10, 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 0x0000018691014EB0, 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 0x0000018692DFBA80, 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 0x0000018692E0EAA0, 103 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 0x000001869100EF20, 8 bytes long.
 Data: <  h&#145;&#134;   > 00 00 68 91 86 01 00 00 
{3834543} normal block at 0x0000018692E0E520, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001869100F060, 8 bytes long.
 Data: <`&#130;&#222;&#146;&#134;   > 60 82 DE 92 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000018691011030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018691006AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000186910160B0, 16 bytes long.
 Data: <Hi &#145;&#134;           > 48 69 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018691015A70, 16 bytes long.
 Data: < i &#145;&#134;           > 20 69 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018691010780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000018691015DE0, 16 bytes long.
 Data: <&#248;h &#145;&#134;           > F8 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000186910163D0, 16 bytes long.
 Data: <&#208;h &#145;&#134;           > D0 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000186910161A0, 16 bytes long.
 Data: <&#168;h &#145;&#134;           > A8 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000186910164C0, 16 bytes long.
 Data: < h &#145;&#134;           > 80 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018691014A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000018691016010, 16 bytes long.
 Data: <X&#232; &#145;&#134;           > 58 E8 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001869100FBE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000186910156B0, 16 bytes long.
 Data: <0&#232; &#145;&#134;           > 30 E8 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000186910159D0, 16 bytes long.
 Data: < &#232; &#145;&#134;           > 08 E8 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018691015660, 16 bytes long.
 Data: <&#224;&#231; &#145;&#134;           > E0 E7 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000186910162E0, 16 bytes long.
 Data: <&#184;&#231; &#145;&#134;           > B8 E7 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018691016150, 16 bytes long.
 Data: < &#231; &#145;&#134;           > 90 E7 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018691015CA0, 16 bytes long.
 Data: <h&#231; &#145;&#134;           > 68 E7 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001869100FC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000018691015E30, 16 bytes long.
 Data: <@&#231; &#145;&#134;           > 40 E7 00 91 86 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001869100E740, 320 bytes long.
 Data: <0^ &#145;&#134;   @&#252; &#145;&#134;   > 30 5E 01 91 86 01 00 00 40 FC 00 91 86 01 00 00 
{275} normal block at 0x0000018691015B60, 16 bytes long.
 Data: <`h &#145;&#134;           > 60 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018691015C50, 16 bytes long.
 Data: <8h &#145;&#134;           > 38 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018691010120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000018691016560, 16 bytes long.
 Data: < h &#145;&#134;           > 10 68 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000186910106C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000018691015B10, 16 bytes long.
 Data: <Xg &#145;&#134;           > 58 67 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018691016100, 16 bytes long.
 Data: <0g &#145;&#134;           > 30 67 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018691016420, 16 bytes long.
 Data: < g &#145;&#134;           > 08 67 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018691015700, 16 bytes long.
 Data: <&#224;f &#145;&#134;           > E0 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018691015C00, 16 bytes long.
 Data: <&#184;f &#145;&#134;           > B8 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018691015930, 16 bytes long.
 Data: < f &#145;&#134;           > 90 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018691015ED0, 16 bytes long.
 Data: < L &#145;&#134;           > 80 4C 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018691014C80, 40 bytes long.
 Data: <&#208;^ &#145;&#134;    &#186;&#223;&#146;&#134;   > D0 5E 01 91 86 01 00 00 80 BA DF 92 86 01 00 00 
{261} normal block at 0x0000018691016510, 16 bytes long.
 Data: <pf &#145;&#134;           > 70 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018691016380, 16 bytes long.
 Data: <Hf &#145;&#134;           > 48 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018691010660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000018691015E80, 16 bytes long.
 Data: < f &#145;&#134;           > 20 66 01 91 86 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018691016620, 992 bytes long.
 Data: < ^ &#145;&#134;   `  &#145;&#134;   > 80 5E 01 91 86 01 00 00 60 06 01 91 86 01 00 00 
{93} normal block at 0x0000018691010060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001869100F330, 16 bytes long.
 Data: < &#226;&#255; &#134;           > 20 E2 FF 90 86 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000018690FFE220, 40 bytes long.
 Data: <0&#243; &#145;&#134;   `  &#145;&#134;   > 30 F3 00 91 86 01 00 00 60 00 01 91 86 01 00 00 
{70} normal block at 0x000001869100F510, 16 bytes long.
 Data: < &#234;&#132; &#247;           > 80 EA 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001869100F470, 16 bytes long.
 Data: <@&#233;&#132; &#247;           > 40 E9 84 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001869100F010, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001869100F4C0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001869100F880, 16 bytes long.
 Data: <P   &#247;           > 50 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001869100F650, 16 bytes long.
 Data: <0   &#247;           > 30 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001869100F830, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001869100EFC0, 16 bytes long.
 Data: <    &#247;           > 10 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001869100F790, 16 bytes long.
 Data: <p   &#247;           > 70 04 81 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001869100EF70, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 7F 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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