Task 38669215

Name	test_826-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND5332_0
Workunit	31611591
Created	25 Oct 2026, 13:58:41 UTC
Sent	25 Oct 2026, 13:58:44 UTC
Report deadline	30 Oct 2026, 13:58:44 UTC
Received	27 Oct 2026, 3:01:07 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	652906
Run time	33 min
CPU time	31 min 59 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	15,394.34 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	704.77 MB
Peak swap size	8.37 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:51:09 (63548): wrapper (7.9.26016): starting
10:51:09 (63548): 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
10:51:11 (63548): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:51:11 (63548): 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\0\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\0\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) : {3835159} normal block at 0x000001A10D0905B0, 8 bytes long.
 Data: <        > 00 00 E8 0C A1 01 00 00 
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001A10F05EB60, 1080 bytes long.
 Data: <                > CC 01 01 00 CD CD CD CD EC 02 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001A10D0A0390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
22:26:50 (65228): wrapper (7.9.26016): starting
22:26:50 (65228): 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\0\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1508} normal block at 0x000001CE92F1F100, 8 bytes long.
 Data: <        > 00 00 E6 92 CE 01 00 00 
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001CE92F215C0, 1080 bytes long.
 Data: <P       P       > 50 C2 00 00 CD CD CD CD 50 01 00 00 00 00 00 00 
Object dump complete.
22:31:50 (50100): wrapper (7.9.26016): starting
22:31:50 (50100): 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\0\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
23:00:16 (50100): C:/Windows/system32/cmd.exe exited; CPU time 1682.000000
23:00:16 (50100): 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: 37069562 bytes.
Dumping objects ->
{1596} normal block at 0x000001F0D4368480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1585} normal block at 0x000001F0D4368640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1574} normal block at 0x000001F0D4368A30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1563} normal block at 0x000001F0D4368720, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1552} normal block at 0x000001F0D43689C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1521} normal block at 0x000001F0D434FF90, 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) : {1508} normal block at 0x000001F0D436DA10, 8 bytes long.
 Data: <  (     > 00 00 28 D4 F0 01 00 00 
{302} normal block at 0x000001F0D436D970, 8 bytes long.
 Data: <  6     > B0 EA 36 D4 F0 01 00 00 
{293} normal block at 0x000001F0D434F2C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001F0D436D5B0, 16 bytes long.
 Data: <H 6             > 48 DE 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F0D436D6A0, 16 bytes long.
 Data: <  6             > 20 DE 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F0D4364BF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001F0D436CFC0, 16 bytes long.
 Data: <  6             > F8 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F0D436D560, 16 bytes long.
 Data: <  6             > D0 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F0D436D510, 16 bytes long.
 Data: <  6             > A8 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F0D436D3D0, 16 bytes long.
 Data: <  6             > 80 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F0D4368950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001F0D436CE80, 16 bytes long.
 Data: <( 6             > 28 0C 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F0D4364B30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001F0D436D380, 16 bytes long.
 Data: <  6             > 00 0C 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F0D436D6F0, 16 bytes long.
 Data: <  6             > D8 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F0D436CD90, 16 bytes long.
 Data: <  6             > B0 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F0D436D290, 16 bytes long.
 Data: <  6             > 88 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F0D436CDE0, 16 bytes long.
 Data: <` 6             > 60 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F0D436CF70, 16 bytes long.
 Data: <8 6             > 38 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F0D4364AD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001F0D436CB60, 16 bytes long.
 Data: <  6             > 10 0B 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F0D4360B10, 320 bytes long.
 Data: <` 6      J6     > 60 CB 36 D4 F0 01 00 00 D0 4A 36 D4 F0 01 00 00 
{272} normal block at 0x000001F0D436CCF0, 16 bytes long.
 Data: <` 6             > 60 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F0D436CF20, 16 bytes long.
 Data: <8 6             > 38 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F0D4364A70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001F0D436DAB0, 16 bytes long.
 Data: <  6             > 10 DD 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F0D4364530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001F0D436D240, 16 bytes long.
 Data: <X 6             > 58 DC 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F0D436CD40, 16 bytes long.
 Data: <0 6             > 30 DC 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F0D436CC50, 16 bytes long.
 Data: <  6             > 08 DC 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F0D436CBB0, 16 bytes long.
 Data: <  6             > E0 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F0D436DA60, 16 bytes long.
 Data: <  6             > B8 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F0D436D1F0, 16 bytes long.
 Data: <  6             > 90 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F0D436D1A0, 16 bytes long.
 Data: <  6             > E0 88 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F0D43688E0, 40 bytes long.
 Data: <  6       4     > A0 D1 36 D4 F0 01 00 00 90 FF 34 D4 F0 01 00 00 
{258} normal block at 0x000001F0D436D9C0, 16 bytes long.
 Data: <p 6             > 70 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F0D436CE30, 16 bytes long.
 Data: <H 6             > 48 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F0D43640B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001F0D436D4C0, 16 bytes long.
 Data: <  6             > 20 DB 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F0D436DB20, 992 bytes long.
 Data: <  6      @6     > C0 D4 36 D4 F0 01 00 00 B0 40 36 D4 F0 01 00 00 
{90} normal block at 0x000001F0D4364890, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001F0D435FE20, 16 bytes long.
 Data: <  6             > B0 86 36 D4 F0 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001F0D43686B0, 40 bytes long.
 Data: <  5      H6     > 20 FE 35 D4 F0 01 00 00 90 48 36 D4 F0 01 00 00 
{67} normal block at 0x000001F0D43606E0, 16 bytes long.
 Data: <                > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F0D435FF60, 16 bytes long.
 Data: <@               > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F0D4360640, 16 bytes long.
 Data: < W              > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F0D4360820, 16 bytes long.
 Data: < W              > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F0D435FD30, 16 bytes long.
 Data: <P               > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F0D435FC40, 16 bytes long.
 Data: <0               > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F0D4360370, 16 bytes long.
 Data: <                > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F0D43603C0, 16 bytes long.
 Data: <                > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F0D435FF10, 16 bytes long.
 Data: <p               > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F0D435FBF0, 16 bytes long.
 Data: <                > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>