Task 38689597

Name	test_123-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1547_0
Workunit	31630834
Created	28 Oct 2026, 22:05:00 UTC
Sent	28 Oct 2026, 22:05:04 UTC
Report deadline	2 Nov 2026, 22:05:04 UTC
Received	28 Oct 2026, 23:32:34 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	642945
Run time	41 min 33 sec
CPU time	41 min 33 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	12,848.68 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	702.09 MB
Peak swap size	5.36 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:09:35 (82700): wrapper (7.9.26016): starting
07:09:35 (82700): 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
07:09:36 (82700): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:09:36 (82700): 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\10\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\10\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
      0 [main] tar 745 dofork: child -1 - forked process 46808 died unexpectedly, retry 0, exit code 0xC0000142, errno 11
tarDetected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835275} normal block at 0x0000020666C9E440, 8 bytes long.
 Data: <   f    > 00 00 BC 66 06 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000020668D24990, 1080 bytes long.
 Data: < h      4       > 14 68 01 00 CD CD CD CD 34 03 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020666CA2550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
08:30:20 (13124): wrapper (7.9.26016): starting
08:30:20 (13124): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#131;T&#131;u&#131;f&#131;B&#131;&#140;&#131;N&#131;g&#131;&#138;&#130;&#220;&#130;&#189;&#130;&#205;&#131;t&#131;@&#131;C&#131;&#139; C:\ProgramData\BOINC\slots\10\tmp &#130;&#205;&#138;&#249;&#130;&#201;&#145;&#182;&#141;&#221;&#130;&#181;&#130;&#220;&#130;&#183;&#129;B
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
08:32:03 (13124): C:/Windows/system32/cmd.exe exited; CPU time 76.218750
08:32:03 (13124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 2576445 bytes.
Dumping objects ->
{1600} normal block at 0x000001B52C154880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1589} normal block at 0x000001B52C1543B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1578} normal block at 0x000001B52C154650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1567} normal block at 0x000001B52C154340, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1556} normal block at 0x000001B52C154500, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1525} normal block at 0x000001B52C13BBC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {1512} normal block at 0x000001B52C156DF0, 8 bytes long.
 Data: <   ,    > 00 00 12 2C B5 01 00 00 
{310} normal block at 0x000001B52C156490, 8 bytes long.
 Data: < Z ,    > F0 5A 15 2C B5 01 00 00 
{301} normal block at 0x000001B52C147360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001B52C156E90, 16 bytes long.
 Data: < s ,            > B8 73 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001B52C156940, 16 bytes long.
 Data: < s ,            > 90 73 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B52C14FFA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001B52C156120, 16 bytes long.
 Data: <hs ,            > 68 73 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B52C156620, 16 bytes long.
 Data: <@s ,            > 40 73 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B52C156B20, 16 bytes long.
 Data: < s ,            > 18 73 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B52C1564E0, 16 bytes long.
 Data: < r ,            > F0 72 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B52C154810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001B52C156440, 16 bytes long.
 Data: <   ,            > E8 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B52C14FC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001B52C1560D0, 16 bytes long.
 Data: <   ,            > C0 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B52C156EE0, 16 bytes long.
 Data: <   ,            > 98 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B52C156BC0, 16 bytes long.
 Data: <p  ,            > 70 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B52C156300, 16 bytes long.
 Data: <H  ,            > 48 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B52C1565D0, 16 bytes long.
 Data: <   ,            > 20 98 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B52C156210, 16 bytes long.
 Data: <   ,            > F8 97 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B52C14FD60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001B52C156580, 16 bytes long.
 Data: <   ,            > D0 97 14 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B52C1497D0, 320 bytes long.
 Data: < e ,    `  ,    > 80 65 15 2C B5 01 00 00 60 FD 14 2C B5 01 00 00 
{280} normal block at 0x000001B52C1563F0, 16 bytes long.
 Data: < r ,            > D0 72 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B52C156E40, 16 bytes long.
 Data: < r ,            > A8 72 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B52C14FAC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001B52C1562B0, 16 bytes long.
 Data: < r ,            > 80 72 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B52C14FE20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001B52C157020, 16 bytes long.
 Data: < q ,            > C8 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B52C156FD0, 16 bytes long.
 Data: < q ,            > A0 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B52C156530, 16 bytes long.
 Data: <xq ,            > 78 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B52C1563A0, 16 bytes long.
 Data: <Pq ,            > 50 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B52C1566C0, 16 bytes long.
 Data: <(q ,            > 28 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B52C156DA0, 16 bytes long.
 Data: < q ,            > 00 71 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B52C156260, 16 bytes long.
 Data: < D ,            > 90 44 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B52C154490, 40 bytes long.
 Data: <`b ,       ,    > 60 62 15 2C B5 01 00 00 C0 BB 13 2C B5 01 00 00 
{266} normal block at 0x000001B52C156F30, 16 bytes long.
 Data: < p ,            > E0 70 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B52C156F80, 16 bytes long.
 Data: < p ,            > B8 70 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B52C14FE80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001B52C156350, 16 bytes long.
 Data: < p ,            > 90 70 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B52C157090, 992 bytes long.
 Data: <Pc ,       ,    > 50 63 15 2C B5 01 00 00 80 FE 14 2C B5 01 00 00 
{98} normal block at 0x000001B52C14F9A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001B52C14E710, 16 bytes long.
 Data: < E ,            > E0 45 15 2C B5 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001B52C1545E0, 40 bytes long.
 Data: <   ,       ,    > 10 E7 14 2C B5 01 00 00 A0 F9 14 2C B5 01 00 00 
{73} normal block at 0x000001B52C14DE00, 16 bytes long.
 Data: <  h             > 80 EA 68 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001B52C14E990, 16 bytes long.
 Data: <@ h             > 40 E9 68 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B52C14DEF0, 16 bytes long.
 Data: < We             > F8 57 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B52C14DB30, 16 bytes long.
 Data: < We             > D8 57 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B52C14E6C0, 16 bytes long.
 Data: <P e             > 50 04 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B52C14E120, 16 bytes long.
 Data: <0 e             > 30 04 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B52C14E760, 16 bytes long.
 Data: <  e             > E0 02 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B52C14E350, 16 bytes long.
 Data: <  e             > 10 04 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B52C14E670, 16 bytes long.
 Data: <p e             > 70 04 65 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B52C14E7B0, 16 bytes long.
 Data: <  c             > 18 C0 63 04 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>