Task 38682842

Name test_750-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8269_0
Workunit 31624434
Created 27 Oct 2026, 9:21:29 UTC
Sent 27 Oct 2026, 9:21:40 UTC
Report deadline 1 Nov 2026, 9:21:40 UTC
Received 27 Oct 2026, 9:50:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 25 min 47 sec
CPU time 23 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.72 MB
Peak swap size 9.79 GB
Peak disk usage 3.39 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:23:07 (13456): wrapper (7.9.26016): starting
05:23:07 (13456): 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
05:23:08 (13456): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:23:08 (13456): 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\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\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
05:48:04 (13456): C:/Windows/system32/cmd.exe exited; CPU time 1422.281250
05:48:04 (13456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22943179 bytes.
Dumping objects ->
{3835280} normal block at 0x00000226241E4AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000226241E4790, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000226241E44F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000226241E4A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000226241E4800, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x0000022625F799E0, 64 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 0x000002262423D4E0, 140 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) : {3835191} normal block at 0x00000226241DE5F0, 8 bytes long.
 Data: <  j$&   > 00 00 6A 24 26 02 00 00 
{3834567} normal block at 0x000002262423D1A0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000226241DE8C0, 8 bytes long.
 Data: <07&#253;%&   > 30 37 FD 25 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000226241E1100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000226241D60C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000226241E56B0, 16 bytes long.
 Data: < U $&           > 18 55 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000226241E5E80, 16 bytes long.
 Data: <&#240;T $&           > F0 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000226241DF890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000226241E57F0, 16 bytes long.
 Data: <&#200;T $&           > C8 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000226241E5A20, 16 bytes long.
 Data: <&#160;T $&           > A0 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000226241E6510, 16 bytes long.
 Data: <xT $&           > 78 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000226241E5B10, 16 bytes long.
 Data: <PT $&           > 50 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000226241E4480, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000226241E5DE0, 16 bytes long.
 Data: <&#184;&#142; $&           > B8 8E 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000226241DF7D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000226241E60B0, 16 bytes long.
 Data: < &#142; $&           > 90 8E 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000226241E5E30, 16 bytes long.
 Data: <h&#142; $&           > 68 8E 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000226241E5BB0, 16 bytes long.
 Data: <@&#142; $&           > 40 8E 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000226241E6060, 16 bytes long.
 Data: < &#142; $&           > 18 8E 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000226241E6330, 16 bytes long.
 Data: <&#240;  $&           > F0 8D 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000226241E5AC0, 16 bytes long.
 Data: <&#200;  $&           > C8 8D 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000226241DF650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000226241E62E0, 16 bytes long.
 Data: <&#160;  $&           > A0 8D 1D 24 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000226241D8DA0, 320 bytes long.
 Data: <&#224;b $&   P&#246; $&   > E0 62 1E 24 26 02 00 00 50 F6 1D 24 26 02 00 00 
{273} normal block at 0x00000226241E5D90, 16 bytes long.
 Data: <0T $&           > 30 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000226241E5700, 16 bytes long.
 Data: < T $&           > 08 54 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000226241DFD70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000226241E5890, 16 bytes long.
 Data: <&#224;S $&           > E0 53 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000226241E00D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000226241E5980, 16 bytes long.
 Data: <(S $&           > 28 53 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000226241E5750, 16 bytes long.
 Data: < S $&           > 00 53 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000226241E5CF0, 16 bytes long.
 Data: <&#216;R $&           > D8 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000226241E5C50, 16 bytes long.
 Data: <&#176;R $&           > B0 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000226241E5F20, 16 bytes long.
 Data: < R $&           > 88 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000226241DE5A0, 16 bytes long.
 Data: <`R $&           > 60 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000226241DF270, 16 bytes long.
 Data: <&#176;F $&           > B0 46 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000226241E46B0, 40 bytes long.
 Data: <p&#242; $&   &#224; &#247;%&   > 70 F2 1D 24 26 02 00 00 E0 99 F7 25 26 02 00 00 
{259} normal block at 0x00000226241DE500, 16 bytes long.
 Data: <@R $&           > 40 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000226241DF1D0, 16 bytes long.
 Data: < R $&           > 18 52 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000226241DFB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000226241DF3B0, 16 bytes long.
 Data: <&#240;Q $&           > F0 51 1E 24 26 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000226241E51F0, 992 bytes long.
 Data: <&#176;&#243; $&   0&#251; $&   > B0 F3 1D 24 26 02 00 00 30 FB 1D 24 26 02 00 00 
{91} normal block at 0x00000226241DF5F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000226241DECD0, 16 bytes long.
 Data: <P&#220; $&           > 50 DC 1C 24 26 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000226241CDC50, 40 bytes long.
 Data: <&#208;&#236; $&   &#240;&#245; $&   > D0 EC 1D 24 26 02 00 00 F0 F5 1D 24 26 02 00 00 
{68} normal block at 0x00000226241DEFA0, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000226241DEF00, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000226241DE6E0, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000226241DE780, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000226241DE4B0, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000226241DEC30, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000226241DEF50, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000226241DE960, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000226241DF0E0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000226241DE7D0, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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