Task 38686824

Name test_534-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9413_0
Workunit 31628235
Created 28 Oct 2026, 4:34:21 UTC
Sent 28 Oct 2026, 4:34:24 UTC
Report deadline 2 Nov 2026, 4:34:24 UTC
Received 28 Oct 2026, 5:40:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 35 min 29 sec
CPU time 27 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.70 MB
Peak swap size 14.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:06:31 (14680): wrapper (7.9.26016): starting
06:06:31 (14680): 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
06:06:33 (14680): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:06:33 (14680): 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_GPUGRID\slots\1\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_GPUGRID\slots\1\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
06:40:11 (14680): C:/Windows/system32/cmd.exe exited; CPU time 1641.546875
06:40:11 (14680): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 26708333 bytes.
Dumping objects ->
{3835309} normal block at 0x000001CB0E8F6B00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x000001CB0CA35130, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x000001CB0CA35210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x000001CB0CA35050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001CB0CA34FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x000001CB0E8F7300, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001CB0E820110, 180 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) : {3835220} normal block at 0x000001CB0CA2F030, 8 bytes long.
 Data: <  &#158; &#203;   > 00 00 9E 0C CB 01 00 00 
{3834594} normal block at 0x000001CB0E820890, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001CB0CA2F1C0, 8 bytes long.
 Data: <`7&#149; &#203;   > 60 37 95 0E CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CB0CA2E480, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CB0CA27490, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001CB0CA365D0, 16 bytes long.
 Data: <8l&#163; &#203;           > 38 6C A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CB0CA35A40, 16 bytes long.
 Data: < l&#163; &#203;           > 10 6C A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CB0CA30010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001CB0CA36580, 16 bytes long.
 Data: <&#232;k&#163; &#203;           > E8 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CB0CA35D60, 16 bytes long.
 Data: <&#192;k&#163; &#203;           > C0 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CB0CA35B30, 16 bytes long.
 Data: < k&#163; &#203;           > 98 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CB0CA36490, 16 bytes long.
 Data: <pk&#163; &#203;           > 70 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CB0CA34DB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001CB0CA359A0, 16 bytes long.
 Data: <&#216;K&#163; &#203;           > D8 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB0CA300D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001CB0CA36850, 16 bytes long.
 Data: <&#176;K&#163; &#203;           > B0 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB0CA35FE0, 16 bytes long.
 Data: < K&#163; &#203;           > 88 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB0CA35F90, 16 bytes long.
 Data: <`K&#163; &#203;           > 60 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB0CA35EA0, 16 bytes long.
 Data: <8K&#163; &#203;           > 38 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB0CA36440, 16 bytes long.
 Data: < K&#163; &#203;           > 10 4B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CB0CA35A90, 16 bytes long.
 Data: <&#232;J&#163; &#203;           > E8 4A A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB0CA30B50, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x000001CB0CA359F0, 16 bytes long.
 Data: <&#192;J&#163; &#203;           > C0 4A A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CB0CA34AC0, 320 bytes long.
 Data: <&#240;Y&#163; &#203;   P &#163; &#203;   > F0 59 A3 0C CB 01 00 00 50 0B A3 0C CB 01 00 00 
{276} normal block at 0x000001CB0CA361C0, 16 bytes long.
 Data: <Pk&#163; &#203;           > 50 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CB0CA36210, 16 bytes long.
 Data: <(k&#163; &#203;           > 28 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB0CA303D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001CB0CA36170, 16 bytes long.
 Data: < k&#163; &#203;           > 00 6B A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB0CA2FFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001CB0CA35BD0, 16 bytes long.
 Data: <Hj&#163; &#203;           > 48 6A A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CB0CA36120, 16 bytes long.
 Data: < j&#163; &#203;           > 20 6A A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB0CA363F0, 16 bytes long.
 Data: <&#248;i&#163; &#203;           > F8 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CB0CA362B0, 16 bytes long.
 Data: <&#208;i&#163; &#203;           > D0 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB0CA360D0, 16 bytes long.
 Data: <&#168;i&#163; &#203;           > A8 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CB0CA35F40, 16 bytes long.
 Data: < i&#163; &#203;           > 80 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB0CA36260, 16 bytes long.
 Data: < R&#163; &#203;           > 80 52 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CB0CA35280, 40 bytes long.
 Data: <`b&#163; &#203;    s&#143; &#203;   > 60 62 A3 0C CB 01 00 00 00 73 8F 0E CB 01 00 00 
{262} normal block at 0x000001CB0CA35D10, 16 bytes long.
 Data: <`i&#163; &#203;           > 60 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CB0CA363A0, 16 bytes long.
 Data: <8i&#163; &#203;           > 38 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CB0CA306D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001CB0CA36530, 16 bytes long.
 Data: < i&#163; &#203;           > 10 69 A3 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CB0CA36910, 992 bytes long.
 Data: <0e&#163; &#203;   &#208; &#163; &#203;   > 30 65 A3 0C CB 01 00 00 D0 06 A3 0C CB 01 00 00 
{94} normal block at 0x000001CB0CA309D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001CB0CA2F850, 16 bytes long.
 Data: <0&#145;  &#203;           > 30 91 A1 0C CB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001CB0CA19130, 40 bytes long.
 Data: <P&#248;  &#203;   &#208;	&#163; &#203;   > 50 F8 A2 0C CB 01 00 00 D0 09 A3 0C CB 01 00 00 
{71} normal block at 0x000001CB0CA2F3A0, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CB0CA2F440, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CB0CA2F170, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CB0CA2FD50, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CB0CA2F530, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CB0CA2F260, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CB0CA2F800, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CB0CA2F080, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CB0CA2F120, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB0CA2F6C0, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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