Task 38679024

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1145_0
Workunit 31620821
Created 26 Oct 2026, 19:14:35 UTC
Sent 26 Oct 2026, 19:14:38 UTC
Report deadline 31 Oct 2026, 19:14:38 UTC
Received 26 Oct 2026, 19:50:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 22 sec
CPU time 16 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.89 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:32:49 (27164): wrapper (7.9.26016): starting
20:32:49 (27164): 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
20:32:50 (27164): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:32:50 (27164): 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\3\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\3\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
20:49:31 (27164): C:/Windows/system32/cmd.exe exited; CPU time 987.531250
20:49:31 (27164): 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: 16640313 bytes.
Dumping objects ->
{3835018} normal block at 0x000001A687BECF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x000001A687BEC660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x000001A687BECEB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x000001A687BECCF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x000001A685F24BF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x000001A687C3A350, 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) : {3834930} normal block at 0x000001A685F1D2B0, 8 bytes long.
 Data: <  /&#134;&#166;   > 00 00 2F 86 A6 01 00 00 
{3833961} normal block at 0x000001A685F1DA80, 8 bytes long.
 Data: < &#224;&#196;&#135;&#166;   > 90 E0 C4 87 A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A685F219D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A685F164A0, 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 0x000001A685F25710, 16 bytes long.
 Data: <&#184;h&#242;&#133;&#166;           > B8 68 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A685F255D0, 16 bytes long.
 Data: < h&#242;&#133;&#166;           > 90 68 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A685F1F460, 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 0x000001A685F25670, 16 bytes long.
 Data: <hh&#242;&#133;&#166;           > 68 68 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A685F256C0, 16 bytes long.
 Data: <@h&#242;&#133;&#166;           > 40 68 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A685F25B20, 16 bytes long.
 Data: < h&#242;&#133;&#166;           > 18 68 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A685F25620, 16 bytes long.
 Data: <&#240;g&#242;&#133;&#166;           > F0 67 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A685F24790, 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 0x000001A685F26340, 16 bytes long.
 Data: <H&#230;&#240;&#133;&#166;           > 48 E6 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A685F1FA60, 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 0x000001A685F257B0, 16 bytes long.
 Data: < &#230;&#240;&#133;&#166;           > 20 E6 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A685F25D50, 16 bytes long.
 Data: <&#248;&#229;&#240;&#133;&#166;           > F8 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A685F25800, 16 bytes long.
 Data: <&#208;&#229;&#240;&#133;&#166;           > D0 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A685F25C10, 16 bytes long.
 Data: <&#168;&#229;&#240;&#133;&#166;           > A8 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A685F25AD0, 16 bytes long.
 Data: < &#229;&#240;&#133;&#166;           > 80 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A685F25A80, 16 bytes long.
 Data: <X&#229;&#240;&#133;&#166;           > 58 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A685F1FAC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001A685F25B70, 16 bytes long.
 Data: <0&#229;&#240;&#133;&#166;           > 30 E5 F0 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A685F0E530, 320 bytes long.
 Data: <p[&#242;&#133;&#166;   &#192;&#250;&#241;&#133;&#166;   > 70 5B F2 85 A6 01 00 00 C0 FA F1 85 A6 01 00 00 
{276} normal block at 0x000001A685F26480, 16 bytes long.
 Data: <&#208;g&#242;&#133;&#166;           > D0 67 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A685F259E0, 16 bytes long.
 Data: <&#168;g&#242;&#133;&#166;           > A8 67 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A685F1F520, 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 0x000001A685F25990, 16 bytes long.
 Data: < g&#242;&#133;&#166;           > 80 67 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A685F1F2E0, 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 0x000001A685F25CB0, 16 bytes long.
 Data: <&#200;f&#242;&#133;&#166;           > C8 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A685F25D00, 16 bytes long.
 Data: <&#160;f&#242;&#133;&#166;           > A0 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A685F25BC0, 16 bytes long.
 Data: <xf&#242;&#133;&#166;           > 78 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A685F25FD0, 16 bytes long.
 Data: <Pf&#242;&#133;&#166;           > 50 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A685F25A30, 16 bytes long.
 Data: <(f&#242;&#133;&#166;           > 28 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A685F26520, 16 bytes long.
 Data: < f&#242;&#133;&#166;           > 00 66 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A685F26020, 16 bytes long.
 Data: <0J&#242;&#133;&#166;           > 30 4A F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A685F24A30, 40 bytes long.
 Data: < `&#242;&#133;&#166;   P&#163;&#195;&#135;&#166;   > 20 60 F2 85 A6 01 00 00 50 A3 C3 87 A6 01 00 00 
{262} normal block at 0x000001A685F26430, 16 bytes long.
 Data: <&#224;e&#242;&#133;&#166;           > E0 65 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A685F25940, 16 bytes long.
 Data: <&#184;e&#242;&#133;&#166;           > B8 65 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A685F1EFE0, 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 0x000001A685F25E40, 16 bytes long.
 Data: < e&#242;&#133;&#166;           > 90 65 F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A685F26590, 992 bytes long.
 Data: <@^&#242;&#133;&#166;   &#224;&#239;&#241;&#133;&#166;   > 40 5E F2 85 A6 01 00 00 E0 EF F1 85 A6 01 00 00 
{94} normal block at 0x000001A685F1EC20, 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 0x000001A685F1E070, 16 bytes long.
 Data: < K&#242;&#133;&#166;           > 10 4B F2 85 A6 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A685F24B10, 40 bytes long.
 Data: <p&#224;&#241;&#133;&#166;    &#236;&#241;&#133;&#166;   > 70 E0 F1 85 A6 01 00 00 20 EC F1 85 A6 01 00 00 
{71} normal block at 0x000001A685F1DCB0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A685F1D300, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A685F1D9E0, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A685F1DC60, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A685F1E160, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A685F1D5D0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A685F1D4E0, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A685F1DE40, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A685F1D580, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A685F1DA30, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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