Task 38682519

Name test_458-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1589_0
Workunit 31624126
Created 27 Oct 2026, 8:04:49 UTC
Sent 27 Oct 2026, 8:04:52 UTC
Report deadline 1 Nov 2026, 8:04:52 UTC
Received 27 Oct 2026, 8:22:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609285
Run time 17 min 25 sec
CPU time 16 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 111,632.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.91 MB
Peak swap size 13.25 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:05:55 (36980): wrapper (7.9.26016): starting
01:05:55 (36980): 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
01:05:56 (36980): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:05:56 (36980): 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\28\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\28\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
01:22:31 (36980): C:/Windows/system32/cmd.exe exited; CPU time 977.593750
01:22:31 (36980): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 21893727 bytes.
Dumping objects ->
{3835205} normal block at 0x0000028A62A54FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000028A62A54F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000028A62A55090, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x0000028A62A54ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000028A62A54DF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x0000028A6482A510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x0000028A62A4DAF0, 8 bytes long.
 Data: <  &#242;b&#138;   > 00 00 F2 62 8A 02 00 00 
{3833967} normal block at 0x0000028A62A4D870, 8 bytes long.
 Data: <&#160;8 d&#138;   > A0 38 88 64 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028A62A51390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028A62A46C60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000028A62A56720, 16 bytes long.
 Data: <&#248;k&#165;b&#138;           > F8 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028A62A56680, 16 bytes long.
 Data: <&#208;k&#165;b&#138;           > D0 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028A62A4F1E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000028A62A55D70, 16 bytes long.
 Data: <&#168;k&#165;b&#138;           > A8 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028A62A564F0, 16 bytes long.
 Data: < k&#165;b&#138;           > 80 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028A62A56310, 16 bytes long.
 Data: <Xk&#165;b&#138;           > 58 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028A62A56090, 16 bytes long.
 Data: <0k&#165;b&#138;           > 30 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028A62A55250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000028A62A55AF0, 16 bytes long.
 Data: <&#168;&#183;&#163;b&#138;           > A8 B7 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028A62A4F9C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000028A62A56040, 16 bytes long.
 Data: < &#183;&#163;b&#138;           > 80 B7 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028A62A55EB0, 16 bytes long.
 Data: <X&#183;&#163;b&#138;           > 58 B7 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028A62A561D0, 16 bytes long.
 Data: <0&#183;&#163;b&#138;           > 30 B7 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028A62A564A0, 16 bytes long.
 Data: < &#183;&#163;b&#138;           > 08 B7 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028A62A55FF0, 16 bytes long.
 Data: <&#224;&#182;&#163;b&#138;           > E0 B6 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028A62A55AA0, 16 bytes long.
 Data: <&#184;&#182;&#163;b&#138;           > B8 B6 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028A62A4F3C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000028A62A562C0, 16 bytes long.
 Data: < &#182;&#163;b&#138;           > 90 B6 A3 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028A62A3B690, 320 bytes long.
 Data: <&#192;b&#165;b&#138;   &#192;&#243;&#164;b&#138;   > C0 62 A5 62 8A 02 00 00 C0 F3 A4 62 8A 02 00 00 
{279} normal block at 0x0000028A62A560E0, 16 bytes long.
 Data: < k&#165;b&#138;           > 10 6B A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028A62A565E0, 16 bytes long.
 Data: <&#232;j&#165;b&#138;           > E8 6A A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028A62A4F900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000028A62A55F00, 16 bytes long.
 Data: <&#192;j&#165;b&#138;           > C0 6A A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028A62A4F2A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000028A62A55E60, 16 bytes long.
 Data: < j&#165;b&#138;           > 08 6A A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028A62A55960, 16 bytes long.
 Data: <&#224;i&#165;b&#138;           > E0 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028A62A55D20, 16 bytes long.
 Data: <&#184;i&#165;b&#138;           > B8 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028A62A56770, 16 bytes long.
 Data: < i&#165;b&#138;           > 90 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028A62A55FA0, 16 bytes long.
 Data: <hi&#165;b&#138;           > 68 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028A62A55DC0, 16 bytes long.
 Data: <@i&#165;b&#138;           > 40 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028A62A56630, 16 bytes long.
 Data: <&#224;Q&#165;b&#138;           > E0 51 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028A62A551E0, 40 bytes long.
 Data: <0f&#165;b&#138;    &#165;&#130;d&#138;   > 30 66 A5 62 8A 02 00 00 10 A5 82 64 8A 02 00 00 
{265} normal block at 0x0000028A62A56810, 16 bytes long.
 Data: < i&#165;b&#138;           > 20 69 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028A62A56220, 16 bytes long.
 Data: <&#248;h&#165;b&#138;           > F8 68 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028A62A4FA80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000028A62A56270, 16 bytes long.
 Data: <&#208;h&#165;b&#138;           > D0 68 A5 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028A62A568D0, 992 bytes long.
 Data: <pb&#165;b&#138;    &#250;&#164;b&#138;   > 70 62 A5 62 8A 02 00 00 80 FA A4 62 8A 02 00 00 
{97} normal block at 0x0000028A62A4FD20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000028A62A4DF50, 16 bytes long.
 Data: <@&#236;&#164;b&#138;           > 40 EC A4 62 8A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000028A62A4EC40, 40 bytes long.
 Data: <P&#223;&#164;b&#138;    &#253;&#164;b&#138;   > 50 DF A4 62 8A 02 00 00 20 FD A4 62 8A 02 00 00 
{74} normal block at 0x0000028A62A4D3C0, 16 bytes long.
 Data: < &#234;.)&#246;           > 80 EA 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028A62A4D730, 16 bytes long.
 Data: <@&#233;.)&#246;           > 40 E9 2E 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028A62A4D370, 16 bytes long.
 Data: <&#248;W+)&#246;           > F8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028A62A4D9B0, 16 bytes long.
 Data: <&#216;W+)&#246;           > D8 57 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028A62A4D820, 16 bytes long.
 Data: <P +)&#246;           > 50 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028A62A4D5F0, 16 bytes long.
 Data: <0 +)&#246;           > 30 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028A62A4E040, 16 bytes long.
 Data: <&#224; +)&#246;           > E0 02 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028A62A4D320, 16 bytes long.
 Data: <  +)&#246;           > 10 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028A62A4E270, 16 bytes long.
 Data: <p +)&#246;           > 70 04 2B 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028A62A4DAA0, 16 bytes long.
 Data: < &#192;))&#246;           > 18 C0 29 29 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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