Task 38680860

Name test_361-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9965_0
Workunit 31622557
Created 27 Oct 2026, 1:59:41 UTC
Sent 27 Oct 2026, 1:59:47 UTC
Report deadline 1 Nov 2026, 1:59:47 UTC
Received 27 Oct 2026, 4:01:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 31 min 37 sec
CPU time 27 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.61 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:30:21 (18452): wrapper (7.9.26016): starting
23:30:21 (18452): 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
23:30:24 (18452): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:30:24 (18452): 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\30\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\30\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
00:00:47 (18452): C:/Windows/system32/cmd.exe exited; CPU time 1648.171875
00:00:47 (18452): 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: 31808013 bytes.
Dumping objects ->
{3835536} normal block at 0x000002229A26CAC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000022298474850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x0000022298474F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x0000022298474EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000022298474E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x000002229A2B4DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x00000222984DA270, 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) : {3835447} normal block at 0x000002229846F3B0, 8 bytes long.
 Data: <  &#162; "   > 00 00 A2 98 22 02 00 00 
{3834695} normal block at 0x00000222984D9CC0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002229846F310, 8 bytes long.
 Data: <`S4&#154;"   > 60 53 34 9A 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022298471470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000222984666C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022298475AA0, 16 bytes long.
 Data: <HgG "           > 48 67 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022298475E60, 16 bytes long.
 Data: < gG "           > 20 67 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002229846F9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022298475870, 16 bytes long.
 Data: <&#248;fG "           > F8 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000222984754B0, 16 bytes long.
 Data: <&#208;fG "           > D0 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000222984761D0, 16 bytes long.
 Data: <&#168;fG "           > A8 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022298475960, 16 bytes long.
 Data: < fG "           > 80 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022298474BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022298475A50, 16 bytes long.
 Data: <&#168;&#231;F "           > A8 E7 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022298470100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022298475C30, 16 bytes long.
 Data: < &#231;F "           > 80 E7 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022298475820, 16 bytes long.
 Data: <X&#231;F "           > 58 E7 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022298475B40, 16 bytes long.
 Data: <0&#231;F "           > 30 E7 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022298475B90, 16 bytes long.
 Data: < &#231;F "           > 08 E7 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022298475D20, 16 bytes long.
 Data: <&#224;&#230;F "           > E0 E6 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022298476310, 16 bytes long.
 Data: <&#184;&#230;F "           > B8 E6 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002229846FC20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022298475C80, 16 bytes long.
 Data: < &#230;F "           > 90 E6 46 98 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002229846E690, 320 bytes long.
 Data: < \G "    &#252;F "   > 80 5C 47 98 22 02 00 00 20 FC 46 98 22 02 00 00 
{277} normal block at 0x0000022298475730, 16 bytes long.
 Data: <`fG "           > 60 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022298475460, 16 bytes long.
 Data: <8fG "           > 38 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000222984702E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022298475D70, 16 bytes long.
 Data: < fG "           > 10 66 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002229846FE00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000222984757D0, 16 bytes long.
 Data: <XeG "           > 58 65 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022298475F50, 16 bytes long.
 Data: <0eG "           > 30 65 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022298476220, 16 bytes long.
 Data: < eG "           > 08 65 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022298475FF0, 16 bytes long.
 Data: <&#224;dG "           > E0 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022298475EB0, 16 bytes long.
 Data: <&#184;dG "           > B8 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000222984759B0, 16 bytes long.
 Data: < dG "           > 90 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022298475910, 16 bytes long.
 Data: <&#160;IG "           > A0 49 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000222984749A0, 40 bytes long.
 Data: < YG "   &#192;M+&#154;"   > 10 59 47 98 22 02 00 00 C0 4D 2B 9A 22 02 00 00 
{263} normal block at 0x0000022298475780, 16 bytes long.
 Data: <pdG "           > 70 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022298475E10, 16 bytes long.
 Data: <HdG "           > 48 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022298470820, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000222984756E0, 16 bytes long.
 Data: < dG "           > 20 64 47 98 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022298476420, 992 bytes long.
 Data: <&#224;VG "     G "   > E0 56 47 98 22 02 00 00 20 08 47 98 22 02 00 00 
{95} normal block at 0x00000222984706A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002229846EAF0, 16 bytes long.
 Data: <@&#212;E "           > 40 D4 45 98 22 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002229845D440, 40 bytes long.
 Data: <&#240;&#234;F "   &#160; G "   > F0 EA 46 98 22 02 00 00 A0 06 47 98 22 02 00 00 
{72} normal block at 0x000002229846F270, 16 bytes long.
 Data: < &#234;&#215;&#243;&#246;           > 80 EA D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002229846EF50, 16 bytes long.
 Data: <@&#233;&#215;&#243;&#246;           > 40 E9 D7 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002229846F4F0, 16 bytes long.
 Data: <&#248;W&#212;&#243;&#246;           > F8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002229846F360, 16 bytes long.
 Data: <&#216;W&#212;&#243;&#246;           > D8 57 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002229846EC30, 16 bytes long.
 Data: <P &#212;&#243;&#246;           > 50 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002229846F680, 16 bytes long.
 Data: <0 &#212;&#243;&#246;           > 30 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002229846E960, 16 bytes long.
 Data: <&#224; &#212;&#243;&#246;           > E0 02 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002229846F400, 16 bytes long.
 Data: <  &#212;&#243;&#246;           > 10 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002229846F130, 16 bytes long.
 Data: <p &#212;&#243;&#246;           > 70 04 D4 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002229846F220, 16 bytes long.
 Data: < &#192;&#210;&#243;&#246;           > 18 C0 D2 F3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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