Task 38676147

Name test_539-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8757_0
Workunit 31618077
Created 26 Oct 2026, 10:24:55 UTC
Sent 26 Oct 2026, 10:24:59 UTC
Report deadline 31 Oct 2026, 10:24:59 UTC
Received 26 Oct 2026, 12:19:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 29 min 36 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 704.93 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>
12:49:51 (5520): wrapper (7.9.26016): starting
12:49:51 (5520): 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
12:49:52 (5520): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:49:52 (5520): 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
13:18:41 (5520): C:/Windows/system32/cmd.exe exited; CPU time 1760.375000
13:18:41 (5520): 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: 20099851 bytes.
Dumping objects ->
{3835245} normal block at 0x00000173CBA71640, 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 0x00000173CBA70AE0, 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 0x00000173CBA70A00, 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 0x00000173CBA715D0, 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 0x00000173CBA71020, 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 0x00000173CBB1B810, 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 0x00000173C9ED9490, 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 0x00000173C9E76DF0, 8 bytes long.
 Data: <  &#222;&#201;s   > 00 00 DE C9 73 01 00 00 
{3834558} normal block at 0x00000173C9EDA190, 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 0x00000173C9E76DA0, 8 bytes long.
 Data: <pt&#183;&#203;s   > 70 74 B7 CB 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000173C9E81120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000173C9E65DB0, 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 0x00000173C9E827F0, 16 bytes long.
 Data: < 8&#232;&#201;s           > 98 38 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000173C9E82250, 16 bytes long.
 Data: <p8&#232;&#201;s           > 70 38 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000173C9E7D630, 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 0x00000173C9E83100, 16 bytes long.
 Data: <H8&#232;&#201;s           > 48 38 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000173C9E825C0, 16 bytes long.
 Data: < 8&#232;&#201;s           > 20 38 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000173C9E83060, 16 bytes long.
 Data: <&#248;7&#232;&#201;s           > F8 37 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000173C9E827A0, 16 bytes long.
 Data: <&#208;7&#232;&#201;s           > D0 37 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173C9E7B580, 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 0x00000173C9E829D0, 16 bytes long.
 Data: <H]&#230;&#201;s           > 48 5D E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000173C9E7D030, 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 0x00000173C9E83010, 16 bytes long.
 Data: < ]&#230;&#201;s           > 20 5D E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000173C9E82FC0, 16 bytes long.
 Data: <&#248;\&#230;&#201;s           > F8 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000173C9E82980, 16 bytes long.
 Data: <&#208;\&#230;&#201;s           > D0 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000173C9E82DE0, 16 bytes long.
 Data: <&#168;\&#230;&#201;s           > A8 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000173C9E82430, 16 bytes long.
 Data: < \&#230;&#201;s           > 80 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000173C9E830B0, 16 bytes long.
 Data: <X\&#230;&#201;s           > 58 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000173C9E7CA90, 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 0x00000173C9E82660, 16 bytes long.
 Data: <0\&#230;&#201;s           > 30 5C E6 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000173C9E65C30, 320 bytes long.
 Data: <`&&#232;&#201;s    &#202;&#231;&#201;s   > 60 26 E8 C9 73 01 00 00 90 CA E7 C9 73 01 00 00 
{279} normal block at 0x00000173C9E828E0, 16 bytes long.
 Data: <&#176;7&#232;&#201;s           > B0 37 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173C9E82A20, 16 bytes long.
 Data: < 7&#232;&#201;s           > 88 37 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173C9E7CDF0, 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 0x00000173C9E82930, 16 bytes long.
 Data: <`7&#232;&#201;s           > 60 37 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000173C9E7CFD0, 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 0x00000173C9E82610, 16 bytes long.
 Data: <&#168;6&#232;&#201;s           > A8 36 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000173C9E82BB0, 16 bytes long.
 Data: < 6&#232;&#201;s           > 80 36 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173C9E82F70, 16 bytes long.
 Data: <X6&#232;&#201;s           > 58 36 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000173C9E82520, 16 bytes long.
 Data: <06&#232;&#201;s           > 30 36 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000173C9E82E30, 16 bytes long.
 Data: < 6&#232;&#201;s           > 08 36 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000173C9E82200, 16 bytes long.
 Data: <&#224;5&#232;&#201;s           > E0 35 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000173C9E82890, 16 bytes long.
 Data: < &#184;&#231;&#201;s           > 20 B8 E7 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173C9E7B820, 40 bytes long.
 Data: < (&#232;&#201;s    &#184;&#177;&#203;s   > 90 28 E8 C9 73 01 00 00 10 B8 B1 CB 73 01 00 00 
{265} normal block at 0x00000173C9E82700, 16 bytes long.
 Data: <&#192;5&#232;&#201;s           > C0 35 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000173C9E82B60, 16 bytes long.
 Data: < 5&#232;&#201;s           > 98 35 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000173C9E7D4B0, 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 0x00000173C9E82570, 16 bytes long.
 Data: <p5&#232;&#201;s           > 70 35 E8 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000173C9E83570, 992 bytes long.
 Data: <p%&#232;&#201;s   &#176;&#212;&#231;&#201;s   > 70 25 E8 C9 73 01 00 00 B0 D4 E7 C9 73 01 00 00 
{97} normal block at 0x00000173C9E7CAF0, 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 0x00000173C9E76760, 16 bytes long.
 Data: < &#181;&#231;&#201;s           > 10 B5 E7 C9 73 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000173C9E7B510, 40 bytes long.
 Data: <`g&#231;&#201;s   &#240;&#202;&#231;&#201;s   > 60 67 E7 C9 73 01 00 00 F0 CA E7 C9 73 01 00 00 
{74} normal block at 0x00000173C9E770C0, 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 0x00000173C9E76D00, 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 0x00000173C9E76990, 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 0x00000173C9E765D0, 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 0x00000173C9E76B70, 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 0x00000173C9E77390, 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 0x00000173C9E76B20, 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 0x00000173C9E76CB0, 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 0x00000173C9E76580, 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 0x00000173C9E76AD0, 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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