Task 38680527

Name test_362-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6100_0
Workunit 31622244
Created 27 Oct 2026, 0:17:13 UTC
Sent 27 Oct 2026, 0:17:16 UTC
Report deadline 1 Nov 2026, 0:17:16 UTC
Received 27 Oct 2026, 2:25:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 31 min 54 sec
CPU time 27 min 51 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 757.70 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>
21:54:08 (21140): wrapper (7.9.26016): starting
21:54:08 (21140): 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
21:54:10 (21140): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:10 (21140): 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
22:24:50 (21140): C:/Windows/system32/cmd.exe exited; CPU time 1671.140625
22:24:50 (21140): 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: 32195159 bytes.
Dumping objects ->
{3835536} normal block at 0x000002D4626FD4D0, 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 0x000002D460A54800, 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 0x000002D460A54F00, 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 0x000002D460A54E90, 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 0x000002D460A54B10, 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 0x000002D462745A80, 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 0x000002D460ABA220, 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 0x000002D460A4F630, 8 bytes long.
 Data: <  &#158;`&#212;   > 00 00 9E 60 D4 02 00 00 
{3834695} normal block at 0x000002D460AB9D40, 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 0x000002D460A4ED70, 8 bytes long.
 Data: <&#160;R}b&#212;   > A0 52 7D 62 D4 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002D460A50B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002D460A46C10, 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 0x000002D460A56360, 16 bytes long.
 Data: <&#248;f&#165;`&#212;           > F8 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002D460A55BE0, 16 bytes long.
 Data: <&#208;f&#165;`&#212;           > D0 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D460A505F0, 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 0x000002D460A55AF0, 16 bytes long.
 Data: <&#168;f&#165;`&#212;           > A8 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D460A55AA0, 16 bytes long.
 Data: < f&#165;`&#212;           > 80 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D460A55820, 16 bytes long.
 Data: <Xf&#165;`&#212;           > 58 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D460A555F0, 16 bytes long.
 Data: <0f&#165;`&#212;           > 30 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D460A548E0, 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 0x000002D460A554B0, 16 bytes long.
 Data: <X&#231;&#164;`&#212;           > 58 E7 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D460A50290, 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 0x000002D460A55FF0, 16 bytes long.
 Data: <0&#231;&#164;`&#212;           > 30 E7 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D460A55B90, 16 bytes long.
 Data: < &#231;&#164;`&#212;           > 08 E7 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D460A55A50, 16 bytes long.
 Data: <&#224;&#230;&#164;`&#212;           > E0 E6 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D460A55C30, 16 bytes long.
 Data: <&#184;&#230;&#164;`&#212;           > B8 E6 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D460A55460, 16 bytes long.
 Data: < &#230;&#164;`&#212;           > 90 E6 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002D460A55A00, 16 bytes long.
 Data: <h&#230;&#164;`&#212;           > 68 E6 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D460A50590, 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 0x000002D460A55640, 16 bytes long.
 Data: <@&#230;&#164;`&#212;           > 40 E6 A4 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D460A4E640, 320 bytes long.
 Data: <@V&#165;`&#212;     &#165;`&#212;   > 40 56 A5 60 D4 02 00 00 90 05 A5 60 D4 02 00 00 
{277} normal block at 0x000002D460A55B40, 16 bytes long.
 Data: < f&#165;`&#212;           > 10 66 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D460A55870, 16 bytes long.
 Data: <&#232;e&#165;`&#212;           > E8 65 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D460A50050, 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 0x000002D460A55410, 16 bytes long.
 Data: <&#192;e&#165;`&#212;           > C0 65 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D460A4FE70, 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 0x000002D460A560E0, 16 bytes long.
 Data: < e&#165;`&#212;           > 08 65 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D460A562C0, 16 bytes long.
 Data: <&#224;d&#165;`&#212;           > E0 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D460A56220, 16 bytes long.
 Data: <&#184;d&#165;`&#212;           > B8 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D460A557D0, 16 bytes long.
 Data: < d&#165;`&#212;           > 90 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D460A55F00, 16 bytes long.
 Data: <hd&#165;`&#212;           > 68 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D460A55910, 16 bytes long.
 Data: <@d&#165;`&#212;           > 40 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D460A561D0, 16 bytes long.
 Data: <pH&#165;`&#212;           > 70 48 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D460A54870, 40 bytes long.
 Data: <&#208;a&#165;`&#212;    Ztb&#212;   > D0 61 A5 60 D4 02 00 00 80 5A 74 62 D4 02 00 00 
{263} normal block at 0x000002D460A55690, 16 bytes long.
 Data: < d&#165;`&#212;           > 20 64 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D460A558C0, 16 bytes long.
 Data: <&#248;c&#165;`&#212;           > F8 63 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D460A4FF30, 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 0x000002D460A559B0, 16 bytes long.
 Data: <&#208;c&#165;`&#212;           > D0 63 A5 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D460A563D0, 992 bytes long.
 Data: <&#176;Y&#165;`&#212;   0&#255;&#164;`&#212;   > B0 59 A5 60 D4 02 00 00 30 FF A4 60 D4 02 00 00 
{95} normal block at 0x000002D460A50170, 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 0x000002D460A4EAA0, 16 bytes long.
 Data: <@&#212;&#163;`&#212;           > 40 D4 A3 60 D4 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002D460A3D440, 40 bytes long.
 Data: <&#160;&#234;&#164;`&#212;   p &#165;`&#212;   > A0 EA A4 60 D4 02 00 00 70 01 A5 60 D4 02 00 00 
{72} normal block at 0x000002D460A4F5E0, 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 0x000002D460A4F1D0, 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 0x000002D460A4F2C0, 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 0x000002D460A4F590, 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 0x000002D460A4E8C0, 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 0x000002D460A4F040, 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 0x000002D460A4EC80, 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 0x000002D460A4EE60, 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 0x000002D460A4F090, 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 0x000002D460A4F130, 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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