Task 38679659

Name	test_246-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6729_0
Workunit	31621426
Created	26 Oct 2026, 21:17:23 UTC
Sent	26 Oct 2026, 21:17:28 UTC
Report deadline	31 Oct 2026, 21:17:28 UTC
Received	27 Oct 2026, 8:24:25 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	606178
Run time	30 min 29 sec
CPU time	28 min 49 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	16,200.74 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	684.70 MB
Peak swap size	6.88 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
22:18:36 (5096): wrapper (7.9.26016): starting
22:18:36 (5096): 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
22:18:37 (5096): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:18:37 (5096): 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) : {3835174} normal block at 0x00000282ABDCFC10, 8 bytes long.
 Data: <        > 00 00 BA AD 82 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000282ADAE7840, 1080 bytes long.
 Data: <Xq              > 58 71 00 00 CD CD CD CD 84 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000282ABDD2C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
01:26:20 (32788): wrapper (7.9.26016): starting
01:26:20 (32788): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d&#130;j&#133;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1516} normal block at 0x0000029082297FF0, 8 bytes long.
 Data: <        > 00 00 80 82 90 02 00 00 
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000029082298890, 1080 bytes long.
 Data: < V      T       > 14 56 00 00 CD CD CD CD 54 01 00 00 00 00 00 00 
Object dump complete.
08:55:17 (30588): wrapper (7.9.26016): starting
08:55:17 (30588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r&#130;pertoire ou un fichier C:\ProgramData\BOINC\slots\0\tmp existe d&#130;j&#133;.
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: Exiting with failure status due to previous errors
09:23:30 (30588): C:/Windows/system32/cmd.exe exited; CPU time 1681.640625
09:23:30 (30588): 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: 34088776 bytes.
Dumping objects ->
{1604} normal block at 0x000002AA32CD5880, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1593} normal block at 0x000002AA32CD5CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1582} normal block at 0x000002AA32CD58F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1571} normal block at 0x000002AA32CD5F80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1560} normal block at 0x000002AA32CD5960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1529} normal block at 0x000002AA32CCA900, 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) : {1516} normal block at 0x000002AA32CD8150, 8 bytes long.
 Data: <  "3    > 00 00 22 33 AA 02 00 00 
{309} normal block at 0x000002AA32CD7930, 8 bytes long.
 Data: <   2    > B0 88 CD 32 AA 02 00 00 
{300} normal block at 0x000002AA32CC78F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002AA32CD78E0, 16 bytes long.
 Data: <   2            > B8 87 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AA32CD7C50, 16 bytes long.
 Data: <   2            > 90 87 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002AA32CD1FF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002AA32CD7E80, 16 bytes long.
 Data: <h  2            > 68 87 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AA32CD76B0, 16 bytes long.
 Data: <@  2            > 40 87 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002AA32CD8060, 16 bytes long.
 Data: <   2            > 18 87 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AA32CD8380, 16 bytes long.
 Data: <   2            > F0 86 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AA32CD5EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002AA32CD7660, 16 bytes long.
 Data: <   2            > 98 04 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AA32CD26B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002AA32CD7B10, 16 bytes long.
 Data: <p  2            > 70 04 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002AA32CD7FC0, 16 bytes long.
 Data: <H  2            > 48 04 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002AA32CD7AC0, 16 bytes long.
 Data: <   2            > 20 04 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AA32CD7A20, 16 bytes long.
 Data: <   2            > F8 03 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AA32CD7840, 16 bytes long.
 Data: <   2            > D0 03 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AA32CD8420, 16 bytes long.
 Data: <   2            > A8 03 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AA32CD27D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002AA32CD7ED0, 16 bytes long.
 Data: <   2            > 80 03 CC 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AA32CC0380, 320 bytes long.
 Data: < ~ 2     ' 2    > D0 7E CD 32 AA 02 00 00 D0 27 CD 32 AA 02 00 00 
{279} normal block at 0x000002AA32CD75C0, 16 bytes long.
 Data: <   2            > D0 86 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AA32CD77F0, 16 bytes long.
 Data: <   2            > A8 86 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002AA32CD2530, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002AA32CD79D0, 16 bytes long.
 Data: <   2            > 80 86 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AA32CD2110, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002AA32CD7CA0, 16 bytes long.
 Data: <   2            > C8 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AA32CD77A0, 16 bytes long.
 Data: <   2            > A0 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002AA32CD8010, 16 bytes long.
 Data: <x  2            > 78 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AA32CD7570, 16 bytes long.
 Data: <P  2            > 50 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AA32CD7C00, 16 bytes long.
 Data: <(  2            > 28 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AA32CD7A70, 16 bytes long.
 Data: <   2            > 00 85 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AA32CD7980, 16 bytes long.
 Data: < _ 2            > 10 5F CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002AA32CD5F10, 40 bytes long.
 Data: < y 2       2    > 80 79 CD 32 AA 02 00 00 00 A9 CC 32 AA 02 00 00 
{265} normal block at 0x000002AA32CD8100, 16 bytes long.
 Data: <   2            > E0 84 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AA32CD7B60, 16 bytes long.
 Data: <   2            > B8 84 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002AA32CD20B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002AA32CD7BB0, 16 bytes long.
 Data: <   2            > 90 84 CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AA32CD8490, 992 bytes long.
 Data: < { 2       2    > B0 7B CD 32 AA 02 00 00 B0 20 CD 32 AA 02 00 00 
{97} normal block at 0x000002AA32CD1F90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002AA32CCF990, 16 bytes long.
 Data: <0^ 2            > 30 5E CD 32 AA 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002AA32CD5E30, 40 bytes long.
 Data: <   2       2    > 90 F9 CC 32 AA 02 00 00 90 1F CD 32 AA 02 00 00 
{74} normal block at 0x000002AA32CCFDA0, 16 bytes long.
 Data: <                > 80 EA FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002AA32CCF800, 16 bytes long.
 Data: <@               > 40 E9 FE C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002AA32CCFE40, 16 bytes long.
 Data: < W              > F8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002AA32CD0250, 16 bytes long.
 Data: < W              > D8 57 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002AA32CCF3F0, 16 bytes long.
 Data: <P               > 50 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002AA32CCF3A0, 16 bytes long.
 Data: <0               > 30 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002AA32CCF5D0, 16 bytes long.
 Data: <                > E0 02 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002AA32CCFAD0, 16 bytes long.
 Data: <                > 10 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002AA32CD01B0, 16 bytes long.
 Data: <p               > 70 04 FB C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002AA32CD00C0, 16 bytes long.
 Data: <                > 18 C0 F9 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>