Task 38684579

Name	test_35-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9383_0
Workunit	31626087
Created	27 Oct 2026, 17:01:37 UTC
Sent	27 Oct 2026, 17:01:47 UTC
Report deadline	1 Nov 2026, 17:01:47 UTC
Received	28 Oct 2026, 0:45:57 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	609617
Run time	58 min 43 sec
CPU time	58 min 43 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	6,564.25 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	687.00 MB
Peak swap size	9.77 GB
Peak disk usage	3.11 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:07:07 (9392): wrapper (7.9.26016): starting
01:07:07 (9392): 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
01:07:10 (9392): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:07:10 (9392): 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\16\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\16\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835155} normal block at 0x000002A7A5336800, 8 bytes long.
 Data: <  '     > 00 00 27 A5 A7 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002A7A6E7EA40, 1080 bytes long.
 Data: < +      8       > 88 2B 00 00 CD CD CD CD 38 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002A7A533FCA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
02:37:13 (9924): wrapper (7.9.26016): starting
02:37:13 (9924): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#143;&#174;&#164;&#175;&#160;&#175;&#170;&#160; &#168;&#171;&#168; &#228;&#160;&#169;&#171; C:\ProgramData\BOINC\slots\16\tmp &#227;&#166;&#165; &#225;&#227;&#233;&#165;&#225;&#226;&#162;&#227;&#165;&#226;.
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
02:46:33 (9924): C:/Windows/system32/cmd.exe exited; CPU time 469.875000
02:46:33 (9924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 4510339 bytes.
Dumping objects ->
{1597} normal block at 0x0000018AA058AEE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1586} normal block at 0x0000018AA058B1F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1575} normal block at 0x0000018AA058B180, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1564} normal block at 0x0000018AA058B3B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1553} normal block at 0x0000018AA058B110, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1522} normal block at 0x0000018AA0575B90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1511} normal block at 0x0000018AA0575AA0, 180 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) : {1508} normal block at 0x0000018AA05930F0, 8 bytes long.
 Data: <  N     > 00 00 4E A0 8A 01 00 00 
{901} normal block at 0x0000018AA057C120, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{298} normal block at 0x0000018AA0592B50, 8 bytes long.
 Data: < OY     > 80 4F 59 A0 8A 01 00 00 
{289} normal block at 0x0000018AA0575A10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000018AA0593050, 16 bytes long.
 Data: < NY             > 88 4E 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018AA0592AB0, 16 bytes long.
 Data: <`NY             > 60 4E 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018AA058C220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000018AA0593280, 16 bytes long.
 Data: <8NY             > 38 4E 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018AA0592A60, 16 bytes long.
 Data: < NY             > 10 4E 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018AA0592CE0, 16 bytes long.
 Data: < MY             > E8 4D 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018AA0592A10, 16 bytes long.
 Data: < MY             > C0 4D 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018AA058B030, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000018AA0592F10, 16 bytes long.
 Data: <  X             > C8 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018AA058C640, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000018AA0592EC0, 16 bytes long.
 Data: <  X             > A0 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018AA0593140, 16 bytes long.
 Data: <x X             > 78 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018AA05929C0, 16 bytes long.
 Data: <P X             > 50 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018AA0592E70, 16 bytes long.
 Data: <( X             > 28 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018AA05930A0, 16 bytes long.
 Data: <  X             > 00 BF 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018AA0593690, 16 bytes long.
 Data: <  X             > D8 BE 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018AA058CA00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000018AA05934B0, 16 bytes long.
 Data: <  X             > B0 BE 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018AA058BEB0, 320 bytes long.
 Data: < 4Y       X     > B0 34 59 A0 8A 01 00 00 00 CA 58 A0 8A 01 00 00 
{268} normal block at 0x0000018AA05935A0, 16 bytes long.
 Data: < MY             > A0 4D 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018AA0592FB0, 16 bytes long.
 Data: <xMY             > 78 4D 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018AA058C400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000018AA05927E0, 16 bytes long.
 Data: <PMY             > 50 4D 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018AA058CB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000018AA0592970, 16 bytes long.
 Data: < LY             > 98 4C 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018AA0592F60, 16 bytes long.
 Data: <pLY             > 70 4C 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018AA0593000, 16 bytes long.
 Data: <HLY             > 48 4C 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018AA0592830, 16 bytes long.
 Data: < LY             > 20 4C 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018AA0593320, 16 bytes long.
 Data: < KY             > F8 4B 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018AA0592790, 16 bytes long.
 Data: < KY             > D0 4B 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018AA0593550, 16 bytes long.
 Data: <@ X             > 40 B3 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018AA058B340, 40 bytes long.
 Data: <P5Y      [W     > 50 35 59 A0 8A 01 00 00 90 5B 57 A0 8A 01 00 00 
{254} normal block at 0x0000018AA0592B00, 16 bytes long.
 Data: < KY             > B0 4B 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018AA05928D0, 16 bytes long.
 Data: < KY             > 88 4B 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000018AA058CE20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000018AA0593500, 16 bytes long.
 Data: <`KY             > 60 4B 59 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000018AA0594B60, 992 bytes long.
 Data: < 5Y       X     > 00 35 59 A0 8A 01 00 00 20 CE 58 A0 8A 01 00 00 
{86} normal block at 0x0000018AA058C280, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000018AA0586B40, 16 bytes long.
 Data: <p X             > 70 AE 58 A0 8A 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000018AA058AE70, 40 bytes long.
 Data: <@kX       X     > 40 6B 58 A0 8A 01 00 00 80 C2 58 A0 8A 01 00 00 
{63} normal block at 0x0000018AA0586820, 16 bytes long.
 Data: <   v            > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018AA0586C80, 16 bytes long.
 Data: <@  v            > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018AA0586B90, 16 bytes long.
 Data: < W v            > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018AA0586500, 16 bytes long.
 Data: < W v            > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018AA05865A0, 16 bytes long.
 Data: <P  v            > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018AA0586F50, 16 bytes long.
 Data: <0  v            > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018AA0586640, 16 bytes long.
 Data: <   v            > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018AA0586A50, 16 bytes long.
 Data: <   v            > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018AA05865F0, 16 bytes long.
 Data: <p  v            > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000018AA0586BE0, 16 bytes long.
 Data: <   v            > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>