Task 38697371

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7372_0
Workunit 31637953
Created 1 Nov 2026, 13:25:58 UTC
Sent 1 Nov 2026, 13:25:58 UTC
Report deadline 6 Nov 2026, 13:25:58 UTC
Received 1 Nov 2026, 14:50:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618585
Run time 33 min 32 sec
CPU time 31 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,485.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.39 MB
Peak swap size 12.98 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:17:13 (25448): wrapper (7.9.26016): starting
15:17:13 (25448): 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
15:17:15 (25448): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:17:15 (25448): 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\6\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\6\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
15:49:19 (25448): C:/Windows/system32/cmd.exe exited; CPU time 1910.140625
15:49:19 (25448): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 35120707 bytes.
Dumping objects ->
{3835645} normal block at 0x00000259F711CB30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835634} normal block at 0x00000259F5374AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835623} normal block at 0x00000259F5374A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835612} normal block at 0x00000259F5374A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x00000259F5374990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835570} normal block at 0x00000259F71649F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x00000259F53DA330, 140 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) : {3835556} normal block at 0x00000259F536EC20, 8 bytes long.
 Data: <  &#163;&#245;Y   > 00 00 A3 F5 59 02 00 00 
{3834734} normal block at 0x00000259F53DA670, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000259F536EB80, 8 bytes long.
 Data: <&#176;&#227; &#247;Y   > B0 E3 07 F7 59 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000259F53711E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000259F5366A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000259F53759F0, 16 bytes long.
 Data: <8g7&#245;Y           > 38 67 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000259F5375950, 16 bytes long.
 Data: < g7&#245;Y           > 10 67 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000259F536F970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000259F5375E50, 16 bytes long.
 Data: <&#232;f7&#245;Y           > E8 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000259F5375E00, 16 bytes long.
 Data: <&#192;f7&#245;Y           > C0 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000259F53755E0, 16 bytes long.
 Data: < f7&#245;Y           > 98 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000259F5375860, 16 bytes long.
 Data: <pf7&#245;Y           > 70 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000259F5374840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000259F53754F0, 16 bytes long.
 Data: <&#216; 6&#245;Y           > D8 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000259F5370150, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000259F5375DB0, 16 bytes long.
 Data: <&#176; 6&#245;Y           > B0 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000259F53754A0, 16 bytes long.
 Data: <  6&#245;Y           > 88 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000259F5375D60, 16 bytes long.
 Data: <` 6&#245;Y           > 60 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000259F53763A0, 16 bytes long.
 Data: <8 6&#245;Y           > 38 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000259F5376030, 16 bytes long.
 Data: <  6&#245;Y           > 10 90 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000259F53757C0, 16 bytes long.
 Data: <&#232; 6&#245;Y           > E8 8F 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000259F53705D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000259F53760D0, 16 bytes long.
 Data: <&#192; 6&#245;Y           > C0 8F 36 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000259F5368FC0, 320 bytes long.
 Data: <&#208;`7&#245;Y   &#208; 7&#245;Y   > D0 60 37 F5 59 02 00 00 D0 05 37 F5 59 02 00 00 
{278} normal block at 0x00000259F5375450, 16 bytes long.
 Data: <Pf7&#245;Y           > 50 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000259F5375EF0, 16 bytes long.
 Data: <(f7&#245;Y           > 28 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000259F5370210, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000259F5375F90, 16 bytes long.
 Data: < f7&#245;Y           > 00 66 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000259F536FA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000259F5376080, 16 bytes long.
 Data: <He7&#245;Y           > 48 65 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000259F5375D10, 16 bytes long.
 Data: < e7&#245;Y           > 20 65 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000259F5375810, 16 bytes long.
 Data: <&#248;d7&#245;Y           > F8 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000259F5375CC0, 16 bytes long.
 Data: <&#208;d7&#245;Y           > D0 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000259F5376170, 16 bytes long.
 Data: <&#168;d7&#245;Y           > A8 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000259F5375590, 16 bytes long.
 Data: < d7&#245;Y           > 80 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000259F5375540, 16 bytes long.
 Data: <PK7&#245;Y           > 50 4B 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000259F5374B50, 40 bytes long.
 Data: <@U7&#245;Y   &#240;I &#247;Y   > 40 55 37 F5 59 02 00 00 F0 49 16 F7 59 02 00 00 
{264} normal block at 0x00000259F53758B0, 16 bytes long.
 Data: <`d7&#245;Y           > 60 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000259F5375770, 16 bytes long.
 Data: <8d7&#245;Y           > 38 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000259F5370090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000259F5376350, 16 bytes long.
 Data: < d7&#245;Y           > 10 64 37 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000259F5376410, 992 bytes long.
 Data: <Pc7&#245;Y     7&#245;Y   > 50 63 37 F5 59 02 00 00 90 00 37 F5 59 02 00 00 
{96} normal block at 0x00000259F536F9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000259F536F5D0, 16 bytes long.
 Data: <P&#230;5&#245;Y           > 50 E6 35 F5 59 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000259F535E650, 40 bytes long.
 Data: <&#208;&#245;6&#245;Y   &#208;&#249;6&#245;Y   > D0 F5 36 F5 59 02 00 00 D0 F9 36 F5 59 02 00 00 
{73} normal block at 0x00000259F536F710, 16 bytes long.
 Data: < &#234;&#230;&#212;&#246;           > 80 EA E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000259F536ED60, 16 bytes long.
 Data: <@&#233;&#230;&#212;&#246;           > 40 E9 E6 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000259F536F670, 16 bytes long.
 Data: <&#248;W&#227;&#212;&#246;           > F8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000259F536F4E0, 16 bytes long.
 Data: <&#216;W&#227;&#212;&#246;           > D8 57 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000259F536ECC0, 16 bytes long.
 Data: <P &#227;&#212;&#246;           > 50 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000259F536EEA0, 16 bytes long.
 Data: <0 &#227;&#212;&#246;           > 30 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000259F536F260, 16 bytes long.
 Data: <&#224; &#227;&#212;&#246;           > E0 02 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000259F536F6C0, 16 bytes long.
 Data: <  &#227;&#212;&#246;           > 10 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000259F536F3F0, 16 bytes long.
 Data: <p &#227;&#212;&#246;           > 70 04 E3 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000259F536E900, 16 bytes long.
 Data: < &#192;&#225;&#212;&#246;           > 18 C0 E1 D4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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