Task 38685926

Name test_242-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0592_0
Workunit 31627379
Created 27 Oct 2026, 23:42:45 UTC
Sent 27 Oct 2026, 23:42:52 UTC
Report deadline 1 Nov 2026, 23:42:52 UTC
Received 28 Oct 2026, 0:14:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 28 min 4 sec
CPU time 25 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.65 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:47:18 (15904): wrapper (7.9.26016): starting
00:47:18 (15904): 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
00:47:19 (15904): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:47:19 (15904): 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
01:14:31 (15904): C:/Windows/system32/cmd.exe exited; CPU time 1548.984375
01:14:31 (15904): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 20631619 bytes.
Dumping objects ->
{3835234} normal block at 0x0000020672120610, 48 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 0x000002067211FFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000206721200D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000002067211F9D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000020670444EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000206721977C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000206721AEBE0, 102 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) : {3835145} normal block at 0x000002067043EC30, 8 bytes long.
 Data: <  <p    > 00 00 3C 70 06 02 00 00 
{3834542} normal block at 0x00000206721AE660, 102 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 0x000002067043EFF0, 8 bytes long.
 Data: <&#176;T"r    > B0 54 22 72 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020670441240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002067042FDD0, 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 0x00000206704455F0, 16 bytes long.
 Data: < gDp            > 98 67 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000206704455A0, 16 bytes long.
 Data: <pgDp            > 70 67 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002067043FD30, 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 0x0000020670445DC0, 16 bytes long.
 Data: <HgDp            > 48 67 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020670446310, 16 bytes long.
 Data: < gDp            > 20 67 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020670445A50, 16 bytes long.
 Data: <&#248;fDp            > F8 66 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000206704457D0, 16 bytes long.
 Data: <&#208;fDp            > D0 66 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020670444FA0, 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 0x0000020670445A00, 16 bytes long.
 Data: <&#232; Cp            > E8 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020670440870, 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 0x0000020670445EB0, 16 bytes long.
 Data: <&#192; Cp            > C0 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020670446270, 16 bytes long.
 Data: <  Cp            > 98 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020670446040, 16 bytes long.
 Data: <p Cp            > 70 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020670445FF0, 16 bytes long.
 Data: <H Cp            > 48 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020670445D20, 16 bytes long.
 Data: <  Cp            > 20 8F 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020670446130, 16 bytes long.
 Data: <&#248;&#142;Cp            > F8 8E 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020670440150, 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 0x0000020670445960, 16 bytes long.
 Data: <&#208;&#142;Cp            > D0 8E 43 70 06 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020670438ED0, 320 bytes long.
 Data: <`YDp    P Dp    > 60 59 44 70 06 02 00 00 50 01 44 70 06 02 00 00 
{276} normal block at 0x0000020670446220, 16 bytes long.
 Data: <&#176;fDp            > B0 66 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020670446400, 16 bytes long.
 Data: < fDp            > 88 66 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206704400F0, 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 0x0000020670445C80, 16 bytes long.
 Data: <`fDp            > 60 66 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020670440690, 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 0x0000020670445CD0, 16 bytes long.
 Data: <&#168;eDp            > A8 65 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020670445910, 16 bytes long.
 Data: < eDp            > 80 65 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000206704461D0, 16 bytes long.
 Data: <XeDp            > 58 65 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206704463B0, 16 bytes long.
 Data: <0eDp            > 30 65 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020670445C30, 16 bytes long.
 Data: < eDp            > 08 65 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020670445F50, 16 bytes long.
 Data: <&#224;dDp            > E0 64 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000206704454B0, 16 bytes long.
 Data: <@KDp            > 40 4B 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020670444B40, 40 bytes long.
 Data: <&#176;TDp    &#192;w r    > B0 54 44 70 06 02 00 00 C0 77 19 72 06 02 00 00 
{262} normal block at 0x0000020670445500, 16 bytes long.
 Data: <&#192;dDp            > C0 64 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020670445690, 16 bytes long.
 Data: < dDp            > 98 64 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206704405D0, 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 0x0000020670445BE0, 16 bytes long.
 Data: <pdDp            > 70 64 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020670446470, 992 bytes long.
 Data: <&#224;[Dp    &#208; Dp    > E0 5B 44 70 06 02 00 00 D0 05 44 70 06 02 00 00 
{94} normal block at 0x0000020670440750, 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 0x000002067043F2C0, 16 bytes long.
 Data: < IDp            > 10 49 44 70 06 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000020670444910, 40 bytes long.
 Data: <&#192;&#242;Cp    P Dp    > C0 F2 43 70 06 02 00 00 50 07 44 70 06 02 00 00 
{71} normal block at 0x000002067043ECD0, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002067043ED20, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002067043EF50, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002067043F7C0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002067043EB40, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002067043F4A0, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002067043F450, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002067043F770, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002067043F720, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002067043EE60, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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