Task 38677111

Name test_552-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0621_0
Workunit 31618994
Created 26 Oct 2026, 13:18:40 UTC
Sent 26 Oct 2026, 13:18:44 UTC
Report deadline 31 Oct 2026, 13:18:44 UTC
Received 26 Oct 2026, 14:18:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 38 sec
CPU time 29 min 24 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 701.97 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>
14:48:28 (10328): wrapper (7.9.26016): starting
14:48:28 (10328): 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
14:48:29 (10328): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:48:29 (10328): 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
15:17:19 (10328): C:/Windows/system32/cmd.exe exited; CPU time 1764.281250
15:17:19 (10328): 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: 20513893 bytes.
Dumping objects ->
{3835245} normal block at 0x00000230E4180AE0, 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 0x00000230E4181250, 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 0x00000230E4181480, 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 0x00000230E4181410, 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 0x00000230E4181640, 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 0x00000230E422B590, 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 0x00000230E4344AA0, 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 0x00000230E25E6A50, 8 bytes long.
 Data: <  Z&#226;0   > 00 00 5A E2 30 02 00 00 
{3834558} normal block at 0x00000230E43449D0, 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 0x00000230E25E7220, 8 bytes long.
 Data: <&#176;{a&#226;0   > B0 7B 61 E2 30 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000230E25F10F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000230E25D5DB0, 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 0x00000230E25F2FE0, 16 bytes long.
 Data: <h8_&#226;0           > 68 38 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000230E25F2180, 16 bytes long.
 Data: <@8_&#226;0           > 40 38 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000230E25ECE80, 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 0x00000230E25F2D60, 16 bytes long.
 Data: < 8_&#226;0           > 18 38 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000230E25F2BD0, 16 bytes long.
 Data: <&#240;7_&#226;0           > F0 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000230E25F2E50, 16 bytes long.
 Data: <&#200;7_&#226;0           > C8 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000230E25F23B0, 16 bytes long.
 Data: <&#160;7_&#226;0           > A0 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000230E25EB6A0, 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 0x00000230E25F2B80, 16 bytes long.
 Data: <H]]&#226;0           > 48 5D 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000230E25ECE20, 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 0x00000230E25F2D10, 16 bytes long.
 Data: < ]]&#226;0           > 20 5D 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000230E25F2CC0, 16 bytes long.
 Data: <&#248;\]&#226;0           > F8 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000230E25F30D0, 16 bytes long.
 Data: <&#208;\]&#226;0           > D0 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000230E25F2AE0, 16 bytes long.
 Data: <&#168;\]&#226;0           > A8 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000230E25F26D0, 16 bytes long.
 Data: < \]&#226;0           > 80 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000230E25F2F40, 16 bytes long.
 Data: <X\]&#226;0           > 58 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000230E25ECBE0, 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 0x00000230E25F29A0, 16 bytes long.
 Data: <0\]&#226;0           > 30 5C 5D E2 30 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000230E25D5C30, 320 bytes long.
 Data: <&#160;)_&#226;0   &#224;&#203;^&#226;0   > A0 29 5F E2 30 02 00 00 E0 CB 5E E2 30 02 00 00 
{279} normal block at 0x00000230E25F2950, 16 bytes long.
 Data: < 7_&#226;0           > 80 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000230E25F24F0, 16 bytes long.
 Data: <X7_&#226;0           > 58 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000230E25EC940, 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 0x00000230E25F25E0, 16 bytes long.
 Data: <07_&#226;0           > 30 37 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000230E25ED060, 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 0x00000230E25F2900, 16 bytes long.
 Data: <x6_&#226;0           > 78 36 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000230E25F2310, 16 bytes long.
 Data: <P6_&#226;0           > 50 36 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000230E25F2B30, 16 bytes long.
 Data: <(6_&#226;0           > 28 36 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000230E25F2EF0, 16 bytes long.
 Data: < 6_&#226;0           > 00 36 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000230E25F2C70, 16 bytes long.
 Data: <&#216;5_&#226;0           > D8 35 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000230E25F27C0, 16 bytes long.
 Data: <&#176;5_&#226;0           > B0 35 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000230E25F29F0, 16 bytes long.
 Data: <&#208;&#184;^&#226;0           > D0 B8 5E E2 30 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000230E25EB8D0, 40 bytes long.
 Data: <&#240;)_&#226;0    &#181;"&#228;0   > F0 29 5F E2 30 02 00 00 90 B5 22 E4 30 02 00 00 
{265} normal block at 0x00000230E25F2A90, 16 bytes long.
 Data: < 5_&#226;0           > 90 35 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000230E25F2EA0, 16 bytes long.
 Data: <h5_&#226;0           > 68 35 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000230E25ECC40, 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 0x00000230E25F2400, 16 bytes long.
 Data: <@5_&#226;0           > 40 35 5F E2 30 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000230E25F3540, 992 bytes long.
 Data: < $_&#226;0   @&#204;^&#226;0   > 00 24 5F E2 30 02 00 00 40 CC 5E E2 30 02 00 00 
{97} normal block at 0x00000230E25ECA60, 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 0x00000230E25E6DC0, 16 bytes long.
 Data: <0&#182;^&#226;0           > 30 B6 5E E2 30 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000230E25EB630, 40 bytes long.
 Data: <&#192;m^&#226;0   `&#202;^&#226;0   > C0 6D 5E E2 30 02 00 00 60 CA 5E E2 30 02 00 00 
{74} normal block at 0x00000230E25E64B0, 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 0x00000230E25E6550, 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 0x00000230E25E7310, 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 0x00000230E25E6D70, 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 0x00000230E25E69B0, 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 0x00000230E25E6960, 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 0x00000230E25E6E60, 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 0x00000230E25E6780, 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 0x00000230E25E6730, 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 0x00000230E25E65F0, 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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