Task 38678368

Name test_859-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2317_0
Workunit 31620189
Created 26 Oct 2026, 17:10:48 UTC
Sent 26 Oct 2026, 17:10:54 UTC
Report deadline 31 Oct 2026, 17:10:54 UTC
Received 26 Oct 2026, 18:35:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539539
Run time 1 hours 4 min 27 sec
CPU time 1 hours 2 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,056.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.89 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:30:50 (18956): wrapper (7.9.26016): starting
18:30:50 (18956): 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
18:30:51 (18956): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:51 (18956): 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
19:34:55 (18956): C:/Windows/system32/cmd.exe exited; CPU time 3768.000000
19:34:55 (18956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 59715064 bytes.
Dumping objects ->
{3835272} normal block at 0x0000028401151FE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000028401151F70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x0000028401151BF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x0000028401151D40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000028401151C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x0000028402BFB280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000028402D15320, 85 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) : {3835183} normal block at 0x00000284011483D0, 8 bytes long.
 Data: <  &#214; &#132;   > 00 00 D6 02 84 02 00 00 
{3834555} normal block at 0x0000028402D14F60, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000028401147B10, 8 bytes long.
 Data: <&#192;*  &#132;   > C0 2A 1C 01 84 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000028401150990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002840113A8D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000028401152AF0, 16 bytes long.
 Data: <&#216;7  &#132;           > D8 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028401152320, 16 bytes long.
 Data: <&#176;7  &#132;           > B0 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002840114DD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000028401152E10, 16 bytes long.
 Data: < 7  &#132;           > 88 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028401152230, 16 bytes long.
 Data: <`7  &#132;           > 60 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028401152A50, 16 bytes long.
 Data: <87  &#132;           > 38 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028401152DC0, 16 bytes long.
 Data: < 7  &#132;           > 10 37 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028401151DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000028401152960, 16 bytes long.
 Data: <X&#212;  &#132;           > 58 D4 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002840114DA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000028401152D70, 16 bytes long.
 Data: <0&#212;  &#132;           > 30 D4 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000284011527D0, 16 bytes long.
 Data: < &#212;  &#132;           > 08 D4 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028401152780, 16 bytes long.
 Data: <&#224;&#211;  &#132;           > E0 D3 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028401152CD0, 16 bytes long.
 Data: <&#184;&#211;  &#132;           > B8 D3 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028401152C80, 16 bytes long.
 Data: < &#211;  &#132;           > 90 D3 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028401152B90, 16 bytes long.
 Data: <h&#211;  &#132;           > 68 D3 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002840114D840, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000028401152F00, 16 bytes long.
 Data: <@&#211;  &#132;           > 40 D3 14 01 84 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002840114D340, 320 bytes long.
 Data: < /  &#132;   @&#216;  &#132;   > 00 2F 15 01 84 02 00 00 40 D8 14 01 84 02 00 00 
{268} normal block at 0x0000028401152910, 16 bytes long.
 Data: <&#240;6  &#132;           > F0 36 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028401152140, 16 bytes long.
 Data: <&#200;6  &#132;           > C8 36 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002840114E380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000028401152B40, 16 bytes long.
 Data: <&#160;6  &#132;           > A0 36 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002840114E0E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000284011528C0, 16 bytes long.
 Data: <&#232;5  &#132;           > E8 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000284011522D0, 16 bytes long.
 Data: <&#192;5  &#132;           > C0 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028401152870, 16 bytes long.
 Data: < 5  &#132;           > 98 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028401152820, 16 bytes long.
 Data: <p5  &#132;           > 70 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028401152190, 16 bytes long.
 Data: <H5  &#132;           > 48 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000284011526E0, 16 bytes long.
 Data: < 5  &#132;           > 20 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028401153040, 16 bytes long.
 Data: <P   &#132;           > 50 19 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028401151950, 40 bytes long.
 Data: <@0  &#132;    &#178;&#191; &#132;   > 40 30 15 01 84 02 00 00 80 B2 BF 02 84 02 00 00 
{254} normal block at 0x00000284011525F0, 16 bytes long.
 Data: < 5  &#132;           > 00 35 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000028401152EB0, 16 bytes long.
 Data: <&#216;4  &#132;           > D8 34 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002840114D660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000028401152C30, 16 bytes long.
 Data: <&#176;4  &#132;           > B0 34 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000284011534B0, 992 bytes long.
 Data: <0,  &#132;   `&#214;  &#132;   > 30 2C 15 01 84 02 00 00 60 D6 14 01 84 02 00 00 
{86} normal block at 0x000002840114D6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000028401147980, 16 bytes long.
 Data: <    &#132;           > 20 1E 15 01 84 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000028401151E20, 40 bytes long.
 Data: < y  &#132;   &#192;&#214;  &#132;   > 80 79 14 01 84 02 00 00 C0 D6 14 01 84 02 00 00 
{63} normal block at 0x0000028401147890, 16 bytes long.
 Data: < &#234;%&#227;&#247;           > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028401147AC0, 16 bytes long.
 Data: <@&#233;%&#227;&#247;           > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028401147700, 16 bytes long.
 Data: <&#248;W"&#227;&#247;           > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028401148100, 16 bytes long.
 Data: <&#216;W"&#227;&#247;           > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000284011476B0, 16 bytes long.
 Data: <P "&#227;&#247;           > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028401147F20, 16 bytes long.
 Data: <0 "&#227;&#247;           > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028401147D90, 16 bytes long.
 Data: <&#224; "&#227;&#247;           > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028401147BB0, 16 bytes long.
 Data: <  "&#227;&#247;           > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000028401148380, 16 bytes long.
 Data: <p "&#227;&#247;           > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000284011475C0, 16 bytes long.
 Data: < &#192; &#227;&#247;           > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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