Task 38686035

Name	test_506-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4928_0
Workunit	31627484
Created	28 Oct 2026, 0:17:19 UTC
Sent	28 Oct 2026, 0:17:26 UTC
Report deadline	2 Nov 2026, 0:17:26 UTC
Received	28 Oct 2026, 8:46:03 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	641248
Run time	1 hours 24 min 15 sec
CPU time	1 hours 22 min 25 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	6,740.51 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	738.70 MB
Peak swap size	11.39 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:42:28 (23164): wrapper (7.9.26016): starting
04:42:28 (23164): 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
04:42:29 (23164): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:42:29 (23164): 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\18\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\18\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) : {3835377} normal block at 0x000002327433EDD0, 8 bytes long.
 Data: <   t2   > 00 00 96 74 32 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000002327436B1D0, 1080 bytes long.
 Data: < W      4       > A0 57 00 00 CD CD CD CD 34 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023274341110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
06:28:54 (4552): wrapper (7.9.26016): starting
06:28:54 (4552): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001C30D615860, 8 bytes long.
 Data: <        > 00 00 AD 0D C3 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C30D6167E0, 1080 bytes long.
 Data: <        H       > 14 11 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
07:48:58 (16060): wrapper (7.9.26016): starting
07:48:58 (16060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001E8323B5D60, 8 bytes long.
 Data: <   2    > 00 00 8E 32 E8 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E8323B67E0, 1080 bytes long.
 Data: <4       ,       > 34 0E 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
07:55:20 (20380): wrapper (7.9.26016): starting
07:55:20 (20380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000210E5265E00, 8 bytes long.
 Data: <        > 00 00 CB E6 10 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000210E52667E0, 1080 bytes long.
 Data: < U      ,       > 84 55 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
08:13:26 (1380): wrapper (7.9.26016): starting
08:13:26 (1380): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001F0CCB05F90, 8 bytes long.
 Data: <        > 00 00 AC CC F0 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001F0CCB067E0, 1080 bytes long.
 Data: <        H       > 80 1D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00 
Object dump complete.
08:29:03 (13688): wrapper (7.9.26016): starting
08:29:03 (13688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000243036B56D0, 8 bytes long.
 Data: <  g C   > 00 00 67 03 43 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000243036B67E0, 1080 bytes long.
 Data: <        ,       > 94 10 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
08:48:13 (15676): wrapper (7.9.26016): starting
08:48:13 (15676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x0000027E608055C0, 8 bytes long.
 Data: <  y`~   > 00 00 79 60 7E 02 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000027E60806590, 1080 bytes long.
 Data: <t_      ,       > 74 5F 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
09:04:23 (21400): wrapper (7.9.26016): starting
09:04:23 (21400): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001EEAD0B5680, 8 bytes long.
 Data: <  \     > 00 00 5C AD EE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001EEAD0B67E0, 1080 bytes long.
 Data: <\J      ,       > 5C 4A 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00 
Object dump complete.
09:39:20 (23712): wrapper (7.9.26016): starting
09:39:20 (23712): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\18\tmp already exists.
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
09:45:40 (23712): C:/Windows/system32/cmd.exe exited; CPU time 354.671875
09:45:40 (23712): 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: 6364141 bytes.
Dumping objects ->
{1813} normal block at 0x000001E7D1514E90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1802} normal block at 0x000001E7D1514F70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1791} normal block at 0x000001E7D1515280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1780} normal block at 0x000001E7D1514C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1769} normal block at 0x000001E7D1514FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1738} normal block at 0x000001E7D150E740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1727} normal block at 0x000001E7D14FB650, 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) : {1724} normal block at 0x000001E7D1515FE0, 8 bytes long.
 Data: <        > 00 00 A6 D1 E7 01 00 00 
{1006} normal block at 0x000001E7D14FE060, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{304} normal block at 0x000001E7D1515F40, 8 bytes long.
 Data: < gQ     > E0 67 51 D1 E7 01 00 00 
{295} normal block at 0x000001E7D1506150, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001E7D1515A90, 16 bytes long.
 Data: < fQ             > E8 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E7D1515B80, 16 bytes long.
 Data: < fQ             > C0 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E7D15100E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001E7D15159A0, 16 bytes long.
 Data: < fQ             > 98 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E7D1516030, 16 bytes long.
 Data: <pfQ             > 70 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E7D1516300, 16 bytes long.
 Data: <HfQ             > 48 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E7D1515C20, 16 bytes long.
 Data: < fQ             > 20 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E7D1514F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001E7D1516170, 16 bytes long.
 Data: <  P             > 98 90 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E7D150FBA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001E7D15155E0, 16 bytes long.
 Data: <p P             > 70 90 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E7D1516080, 16 bytes long.
 Data: <H P             > 48 90 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E7D1515590, 16 bytes long.
 Data: <  P             > 20 90 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E7D15156D0, 16 bytes long.
 Data: <  P             > F8 8F 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E7D15162B0, 16 bytes long.
 Data: <  P             > D0 8F 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E7D1515D60, 16 bytes long.
 Data: <  P             > A8 8F 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E7D150FEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001E7D1515EF0, 16 bytes long.
 Data: <  P             > 80 8F 50 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E7D1508F80, 320 bytes long.
 Data: < ^Q       P     > F0 5E 51 D1 E7 01 00 00 A0 FE 50 D1 E7 01 00 00 
{274} normal block at 0x000001E7D1516260, 16 bytes long.
 Data: < fQ             > 00 66 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E7D1516350, 16 bytes long.
 Data: < eQ             > D8 65 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E7D15106E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001E7D15154F0, 16 bytes long.
 Data: < eQ             > B0 65 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E7D1510320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001E7D1515A40, 16 bytes long.
 Data: < dQ             > F8 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E7D15154A0, 16 bytes long.
 Data: < dQ             > D0 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E7D1515680, 16 bytes long.
 Data: < dQ             > A8 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E7D1515D10, 16 bytes long.
 Data: < dQ             > 80 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E7D1515450, 16 bytes long.
 Data: <XdQ             > 58 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E7D1515540, 16 bytes long.
 Data: <0dQ             > 30 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E7D1515CC0, 16 bytes long.
 Data: < LQ             > D0 4C 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E7D1514CD0, 40 bytes long.
 Data: < \Q     @ P     > C0 5C 51 D1 E7 01 00 00 40 E7 50 D1 E7 01 00 00 
{260} normal block at 0x000001E7D15159F0, 16 bytes long.
 Data: < dQ             > 10 64 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001E7D1515E50, 16 bytes long.
 Data: < cQ             > E8 63 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E7D150F960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001E7D1515DB0, 16 bytes long.
 Data: < cQ             > C0 63 51 D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001E7D15163C0, 992 bytes long.
 Data: < ]Q     ` P     > B0 5D 51 D1 E7 01 00 00 60 F9 50 D1 E7 01 00 00 
{92} normal block at 0x000001E7D150FDE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001E7D150F690, 16 bytes long.
 Data: <  O             > B0 EF 4F D1 E7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001E7D14FEFB0, 40 bytes long.
 Data: <  P       P     > 90 F6 50 D1 E7 01 00 00 E0 FD 50 D1 E7 01 00 00 
{69} normal block at 0x000001E7D150EF10, 16 bytes long.
 Data: <                > 80 EA FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E7D150F140, 16 bytes long.
 Data: <@               > 40 E9 FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E7D150F050, 16 bytes long.
 Data: < W              > F8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E7D150EB00, 16 bytes long.
 Data: < W              > D8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E7D150F0F0, 16 bytes long.
 Data: <P               > 50 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E7D150EAB0, 16 bytes long.
 Data: <0               > 30 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E7D150EB50, 16 bytes long.
 Data: <                > E0 02 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E7D150F4B0, 16 bytes long.
 Data: <                > 10 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E7D150EE70, 16 bytes long.
 Data: <p               > 70 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E7D150EA60, 16 bytes long.
 Data: <                > 18 C0 F9 99 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>