Task 38675529

Name test_475-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3184_0
Workunit 31617494
Created 26 Oct 2026, 8:33:13 UTC
Sent 26 Oct 2026, 8:33:30 UTC
Report deadline 31 Oct 2026, 8:33:30 UTC
Received 26 Oct 2026, 10:16:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 37 sec
CPU time 29 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.21 MB
Peak swap size 9.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:46:35 (7232): wrapper (7.9.26016): starting
10:46:35 (7232): 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
10:46:36 (7232): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:46:36 (7232): 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
11:15:26 (7232): C:/Windows/system32/cmd.exe exited; CPU time 1760.140625
11:15:26 (7232): 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: 20632717 bytes.
Dumping objects ->
{3835245} normal block at 0x00000237555608B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000023755560D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023755560C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x00000237555614F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000023755560B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002375560AE10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000023755724830, 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) : {3835156} normal block at 0x00000237538D6870, 8 bytes long.
 Data: <  &#133;S7   > 00 00 85 53 37 02 00 00 
{3834558} normal block at 0x0000023755724690, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000237538D67D0, 8 bytes long.
 Data: <&#176;{ S7   > B0 7B 90 53 37 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000237538E10F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000237538C5DB0, 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 0x00000237538E2CC0, 16 bytes long.
 Data: <h8&#142;S7           > 68 38 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000237538E2C70, 16 bytes long.
 Data: <@8&#142;S7           > 40 38 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000237538DD000, 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 0x00000237538E2A40, 16 bytes long.
 Data: < 8&#142;S7           > 18 38 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000237538E29A0, 16 bytes long.
 Data: <&#240;7&#142;S7           > F0 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000237538E22C0, 16 bytes long.
 Data: <&#200;7&#142;S7           > C8 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000237538E24F0, 16 bytes long.
 Data: <&#160;7&#142;S7           > A0 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000237538DB8D0, 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 0x00000237538E2950, 16 bytes long.
 Data: <H]&#140;S7           > 48 5D 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000237538DCDC0, 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 0x00000237538E2900, 16 bytes long.
 Data: < ]&#140;S7           > 20 5D 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000237538E30D0, 16 bytes long.
 Data: <&#248;\&#140;S7           > F8 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000237538E2C20, 16 bytes long.
 Data: <&#208;\&#140;S7           > D0 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000237538E2540, 16 bytes long.
 Data: <&#168;\&#140;S7           > A8 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000237538E2BD0, 16 bytes long.
 Data: < \&#140;S7           > 80 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000237538E2DB0, 16 bytes long.
 Data: <X\&#140;S7           > 58 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000237538DC940, 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 0x00000237538E2450, 16 bytes long.
 Data: <0\&#140;S7           > 30 5C 8C 53 37 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000237538C5C30, 320 bytes long.
 Data: <P$&#142;S7   @&#201; S7   > 50 24 8E 53 37 02 00 00 40 C9 8D 53 37 02 00 00 
{279} normal block at 0x00000237538E2220, 16 bytes long.
 Data: < 7&#142;S7           > 80 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000237538E2810, 16 bytes long.
 Data: <X7&#142;S7           > 58 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000237538DD0C0, 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 0x00000237538E2400, 16 bytes long.
 Data: <07&#142;S7           > 30 37 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000237538DC8E0, 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 0x00000237538E2EA0, 16 bytes long.
 Data: <x6&#142;S7           > 78 36 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000237538E2180, 16 bytes long.
 Data: <P6&#142;S7           > 50 36 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000237538E2680, 16 bytes long.
 Data: <(6&#142;S7           > 28 36 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000237538E2360, 16 bytes long.
 Data: < 6&#142;S7           > 00 36 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000237538E27C0, 16 bytes long.
 Data: <&#216;5&#142;S7           > D8 35 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000237538E2590, 16 bytes long.
 Data: <&#176;5&#142;S7           > B0 35 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000237538E2B30, 16 bytes long.
 Data: < &#179; S7           > 90 B3 8D 53 37 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000237538DB390, 40 bytes long.
 Data: <0+&#142;S7    &#174;`U7   > 30 2B 8E 53 37 02 00 00 10 AE 60 55 37 02 00 00 
{265} normal block at 0x00000237538E2720, 16 bytes long.
 Data: < 5&#142;S7           > 90 35 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000237538E28B0, 16 bytes long.
 Data: <h5&#142;S7           > 68 35 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000237538DCF40, 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 0x00000237538E3080, 16 bytes long.
 Data: <@5&#142;S7           > 40 35 8E 53 37 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000237538E3540, 992 bytes long.
 Data: < 0&#142;S7   @&#207; S7   > 80 30 8E 53 37 02 00 00 40 CF 8D 53 37 02 00 00 
{97} normal block at 0x00000237538DCEE0, 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 0x00000237538D6E60, 16 bytes long.
 Data: <&#176;&#178; S7           > B0 B2 8D 53 37 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000237538DB2B0, 40 bytes long.
 Data: <`n S7   &#224;&#206; S7   > 60 6E 8D 53 37 02 00 00 E0 CE 8D 53 37 02 00 00 
{74} normal block at 0x00000237538D7400, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000237538D72C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000237538D6C80, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000237538D6550, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000237538D6C30, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000237538D6D20, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000237538D70E0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000237538D7270, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000237538D7360, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000237538D6780, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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