Task 38680841

Name test_869-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4179_0
Workunit 31622540
Created 27 Oct 2026, 1:52:35 UTC
Sent 27 Oct 2026, 1:52:38 UTC
Report deadline 1 Nov 2026, 1:52:38 UTC
Received 27 Oct 2026, 2:40:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 21 min 4 sec
CPU time 21 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.73 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:16:50 (29264): wrapper (7.9.26016): starting
21:16:50 (29264): 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
21:16:51 (29264): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:51 (29264): 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 'M:\BOINC\slots\28\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 'M:\BOINC\slots\28\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
21:39:05 (29264): C:/Windows/system32/cmd.exe exited; CPU time 1264.671875
21:39:05 (29264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 25183411 bytes.
Dumping objects ->
{3835626} normal block at 0x000002608FD84E30, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000026091A418B0, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000026091A41910, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000026091A420F0, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000026091A41A30, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x000002608FD85060, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x000002608FD7A930, 200 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) : {3835537} normal block at 0x000002608FD7DEE0, 8 bytes long.
 Data: <  &#210; `   > 00 00 D2 8F 60 02 00 00 
{3834737} normal block at 0x000002608FD7C4D0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002608FD7DF30, 8 bytes long.
 Data: <&#176;&#162;&#218; `   > B0 A2 DA 8F 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002608FD81530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002608FD76540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002608FD86260, 16 bytes long.
 Data: <&#216;g&#216; `           > D8 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002608FD85E50, 16 bytes long.
 Data: <&#176;g&#216; `           > B0 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002608FD7F200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002608FD85EF0, 16 bytes long.
 Data: < g&#216; `           > 88 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002608FD86300, 16 bytes long.
 Data: <`g&#216; `           > 60 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002608FD86080, 16 bytes long.
 Data: <8g&#216; `           > 38 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002608FD854F0, 16 bytes long.
 Data: < g&#216; `           > 10 67 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002608FD85140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002608FD856D0, 16 bytes long.
 Data: < &#248;&#214; `           > 98 F8 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002608FD7F1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002608FD85AE0, 16 bytes long.
 Data: <p&#248;&#214; `           > 70 F8 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002608FD85DB0, 16 bytes long.
 Data: <H&#248;&#214; `           > 48 F8 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002608FD86170, 16 bytes long.
 Data: < &#248;&#214; `           > 20 F8 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002608FD858B0, 16 bytes long.
 Data: <&#248;&#247;&#214; `           > F8 F7 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002608FD85680, 16 bytes long.
 Data: <&#208;&#247;&#214; `           > D0 F7 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002608FD85EA0, 16 bytes long.
 Data: <&#168;&#247;&#214; `           > A8 F7 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002608FD7F740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002608FD85C70, 16 bytes long.
 Data: < &#247;&#214; `           > 80 F7 D6 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002608FD6F780, 320 bytes long.
 Data: <p\&#216; `   @&#247;&#215; `   > 70 5C D8 8F 60 02 00 00 40 F7 D7 8F 60 02 00 00 
{277} normal block at 0x000002608FD85D60, 16 bytes long.
 Data: <&#240;f&#216; `           > F0 66 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002608FD85A90, 16 bytes long.
 Data: <&#200;f&#216; `           > C8 66 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002608FD7EC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002608FD859F0, 16 bytes long.
 Data: <&#160;f&#216; `           > A0 66 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002608FD7F440, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002608FD85860, 16 bytes long.
 Data: <&#232;e&#216; `           > E8 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002608FD85BD0, 16 bytes long.
 Data: <&#192;e&#216; `           > C0 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002608FD86210, 16 bytes long.
 Data: < e&#216; `           > 98 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002608FD859A0, 16 bytes long.
 Data: <pe&#216; `           > 70 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002608FD85CC0, 16 bytes long.
 Data: <He&#216; `           > 48 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002608FD85810, 16 bytes long.
 Data: < e&#216; `           > 20 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002608FD855E0, 16 bytes long.
 Data: < S&#216; `           > 00 53 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002608FD85300, 40 bytes long.
 Data: <&#224;U&#216; `   `P&#216; `   > E0 55 D8 8F 60 02 00 00 60 50 D8 8F 60 02 00 00 
{263} normal block at 0x000002608FD861C0, 16 bytes long.
 Data: < e&#216; `           > 00 65 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002608FD85770, 16 bytes long.
 Data: <&#216;d&#216; `           > D8 64 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002608FD7F140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002608FD86440, 16 bytes long.
 Data: <&#176;d&#216; `           > B0 64 D8 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002608FD864B0, 992 bytes long.
 Data: <@d&#216; `   @&#241;&#215; `   > 40 64 D8 8F 60 02 00 00 40 F1 D7 8F 60 02 00 00 
{95} normal block at 0x000002608FD7F020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002608FD7D710, 16 bytes long.
 Data: <&#240; &#215; `           > F0 9D D7 8F 60 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002608FD79DF0, 40 bytes long.
 Data: < &#215;&#215; `    &#240;&#215; `   > 10 D7 D7 8F 60 02 00 00 20 F0 D7 8F 60 02 00 00 
{72} normal block at 0x000002608FD7DA30, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002608FD7DE90, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002608FD7DF80, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002608FD7E1B0, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002608FD7D6C0, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002608FD7DDA0, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002608FD7D580, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002608FD7DC60, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002608FD7D300, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002608FD7D3F0, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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