Task 38662186

Name test_649-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND5809_0
Workunit 31605456
Created 24 Oct 2026, 18:19:53 UTC
Sent 24 Oct 2026, 18:26:46 UTC
Report deadline 29 Oct 2026, 18:26:46 UTC
Received 24 Oct 2026, 19:11:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 24 min 25 sec
CPU time 20 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.92 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:29:48 (33132): wrapper (7.9.26016): starting
19:29:48 (33132): 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
19:29:50 (33132): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:29:50 (33132): 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 'D:\Boinc\data\slots\8\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 'D:\Boinc\data\slots\8\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
19:52:31 (33132): C:/Windows/system32/cmd.exe exited; CPU time 1259.093750
19:52:31 (33132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 34251922 bytes.
Dumping objects ->
{3835279} normal block at 0x0000024046F24A90, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x0000024048E16480, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x0000024048E155E0, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x0000024048E15AC0, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x0000024048E15B20, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x0000024046F24940, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x0000024048DDC3C0, 85 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) : {3835190} normal block at 0x0000024046F1EB10, 8 bytes long.
 Data: <  EG@   > 00 00 45 47 40 02 00 00 
{3834567} normal block at 0x0000024048DDC6E0, 85 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 0x0000024046F1F740, 8 bytes long.
 Data: < :&#226;H@   > 10 3A E2 48 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024046F20EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024046F16B10, 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 0x0000024046F25BB0, 16 bytes long.
 Data: <xf&#242;F@           > 78 66 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024046F25840, 16 bytes long.
 Data: <Pf&#242;F@           > 50 66 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024046F201B0, 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 0x0000024046F25390, 16 bytes long.
 Data: <(f&#242;F@           > 28 66 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024046F26290, 16 bytes long.
 Data: < f&#242;F@           > 00 66 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024046F25F20, 16 bytes long.
 Data: <&#216;e&#242;F@           > D8 65 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024046F257F0, 16 bytes long.
 Data: <&#176;e&#242;F@           > B0 65 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024046F24E10, 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 0x0000024046F257A0, 16 bytes long.
 Data: < &#182;&#240;F@           > 18 B6 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024046F1FF70, 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 0x0000024046F26150, 16 bytes long.
 Data: <&#240;&#181;&#240;F@           > F0 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024046F261F0, 16 bytes long.
 Data: <&#200;&#181;&#240;F@           > C8 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024046F25D40, 16 bytes long.
 Data: <&#160;&#181;&#240;F@           > A0 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024046F25E30, 16 bytes long.
 Data: <x&#181;&#240;F@           > 78 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024046F25610, 16 bytes long.
 Data: <P&#181;&#240;F@           > 50 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024046F25700, 16 bytes long.
 Data: <(&#181;&#240;F@           > 28 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024046F20150, 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 0x0000024046F25ED0, 16 bytes long.
 Data: < &#181;&#240;F@           > 00 B5 F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024046F0B500, 320 bytes long.
 Data: <&#208;^&#242;F@   P &#242;F@   > D0 5E F2 46 40 02 00 00 50 01 F2 46 40 02 00 00 
{276} normal block at 0x0000024046F25A20, 16 bytes long.
 Data: < e&#242;F@           > 90 65 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024046F25570, 16 bytes long.
 Data: <he&#242;F@           > 68 65 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024046F1F8B0, 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 0x0000024046F254D0, 16 bytes long.
 Data: <@e&#242;F@           > 40 65 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024046F1FD90, 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 0x0000024046F258E0, 16 bytes long.
 Data: < d&#242;F@           > 88 64 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024046F25750, 16 bytes long.
 Data: <`d&#242;F@           > 60 64 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024046F25480, 16 bytes long.
 Data: <8d&#242;F@           > 38 64 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024046F256B0, 16 bytes long.
 Data: < d&#242;F@           > 10 64 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024046F26240, 16 bytes long.
 Data: <&#232;c&#242;F@           > E8 63 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024046F25930, 16 bytes long.
 Data: <&#192;c&#242;F@           > C0 63 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024046F25C00, 16 bytes long.
 Data: <&#176;I&#242;F@           > B0 49 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024046F249B0, 40 bytes long.
 Data: < \&#242;F@   @I&#242;F@   > 00 5C F2 46 40 02 00 00 40 49 F2 46 40 02 00 00 
{262} normal block at 0x0000024046F261A0, 16 bytes long.
 Data: <&#160;c&#242;F@           > A0 63 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024046F25660, 16 bytes long.
 Data: <xc&#242;F@           > 78 63 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024046F1FF10, 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 0x0000024046F25CA0, 16 bytes long.
 Data: <Pc&#242;F@           > 50 63 F2 46 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024046F26350, 992 bytes long.
 Data: <&#160;\&#242;F@    &#255;&#241;F@   > A0 5C F2 46 40 02 00 00 10 FF F1 46 40 02 00 00 
{94} normal block at 0x0000024046F20210, 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 0x0000024046F1E890, 16 bytes long.
 Data: <&#240;&#239;&#240;F@           > F0 EF F0 46 40 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024046F0EFF0, 40 bytes long.
 Data: < &#232;&#241;F@     &#242;F@   > 90 E8 F1 46 40 02 00 00 10 02 F2 46 40 02 00 00 
{71} normal block at 0x0000024046F1ECA0, 16 bytes long.
 Data: < &#234;N.&#246;           > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024046F1F790, 16 bytes long.
 Data: <@&#233;N.&#246;           > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024046F1EAC0, 16 bytes long.
 Data: <&#248;WK.&#246;           > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024046F1EDE0, 16 bytes long.
 Data: <&#216;WK.&#246;           > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024046F1F510, 16 bytes long.
 Data: <P K.&#246;           > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024046F1F060, 16 bytes long.
 Data: <0 K.&#246;           > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024046F1EC00, 16 bytes long.
 Data: <&#224; K.&#246;           > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024046F1EE80, 16 bytes long.
 Data: <  K.&#246;           > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024046F1E840, 16 bytes long.
 Data: <p K.&#246;           > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024046F1F6A0, 16 bytes long.
 Data: < &#192;I.&#246;           > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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