Task 38683816

Name	test_772-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3966_0
Workunit	31625360
Created	27 Oct 2026, 13:26:28 UTC
Sent	27 Oct 2026, 13:26:40 UTC
Report deadline	1 Nov 2026, 13:26:40 UTC
Received	27 Oct 2026, 20:20:26 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	623034
Run time	25 min 14 sec
CPU time	22 min 59 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	44,609.07 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	724.52 MB
Peak swap size	9.98 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:39:31 (25344): wrapper (7.9.26016): starting
14:39:31 (25344): 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
14:39:33 (25344): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:39:33 (25344): 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\24\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\24\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) : {3835117} normal block at 0x000002423DAFF810, 8 bytes long.
 Data: <   =B   > 00 00 A8 3D 42 02 00 00 
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002423DBDE6B0, 1080 bytes long.
 Data: <        (       > F4 81 00 00 CD CD CD CD 28 01 00 00 00 00 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002423DB01920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
Object dump complete.
14:58:11 (28992): wrapper (7.9.26016): starting
14:58:11 (28992): 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\24\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1458} normal block at 0x000001FB3F2863C0, 8 bytes long.
 Data: <   ?    > 00 00 87 3F FB 01 00 00 
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001FB3F287700, 1080 bytes long.
 Data: <        L       > F8 9E 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00 
Object dump complete.
15:13:30 (25212): wrapper (7.9.26016): starting
15:13:30 (25212): 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\24\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
15:20:05 (25212): C:/Windows/system32/cmd.exe exited; CPU time 356.109375
15:20:05 (25212): 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: 8167267 bytes.
Dumping objects ->
{1546} normal block at 0x000001CB6A625F80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1535} normal block at 0x000001CB6A625A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1524} normal block at 0x000001CB6A625C70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1513} normal block at 0x000001CB6A625F10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1502} normal block at 0x000001CB6A625C00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1471} normal block at 0x000001CB6A619470, 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) : {1458} normal block at 0x000001CB6A626570, 8 bytes long.
 Data: <   j    > 00 00 B2 6A CB 01 00 00 
{310} normal block at 0x000001CB6A626D90, 8 bytes long.
 Data: <0vbj    > 30 76 62 6A CB 01 00 00 
{301} normal block at 0x000001CB6A616B50, 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 0x000001CB6A6266B0, 16 bytes long.
 Data: <8ubj            > 38 75 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CB6A626A70, 16 bytes long.
 Data: < ubj            > 10 75 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CB6A6208D0, 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 0x000001CB6A6267A0, 16 bytes long.
 Data: < tbj            > E8 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CB6A626B60, 16 bytes long.
 Data: < tbj            > C0 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CB6A626A20, 16 bytes long.
 Data: < tbj            > 98 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CB6A626480, 16 bytes long.
 Data: <ptbj            > 70 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CB6A626060, 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 0x000001CB6A626890, 16 bytes long.
 Data: <  aj            > B8 F4 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CB6A621590, 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 0x000001CB6A626520, 16 bytes long.
 Data: <  aj            > 90 F4 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CB6A626610, 16 bytes long.
 Data: <h aj            > 68 F4 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB6A6263E0, 16 bytes long.
 Data: <@ aj            > 40 F4 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB6A626980, 16 bytes long.
 Data: <  aj            > 18 F4 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CB6A626F20, 16 bytes long.
 Data: <  aj            > F0 F3 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB6A626C00, 16 bytes long.
 Data: <  aj            > C8 F3 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB6A6206F0, 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 0x000001CB6A6264D0, 16 bytes long.
 Data: <  aj            > A0 F3 61 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB6A61F3A0, 320 bytes long.
 Data: < dbj      bj    > D0 64 62 6A CB 01 00 00 F0 06 62 6A CB 01 00 00 
{280} normal block at 0x000001CB6A626930, 16 bytes long.
 Data: <Ptbj            > 50 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB6A626E30, 16 bytes long.
 Data: <(tbj            > 28 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CB6A620810, 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 0x000001CB6A626340, 16 bytes long.
 Data: < tbj            > 00 74 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB6A620CF0, 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 0x000001CB6A626B10, 16 bytes long.
 Data: <Hsbj            > 48 73 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB6A6262F0, 16 bytes long.
 Data: < sbj            > 20 73 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CB6A626840, 16 bytes long.
 Data: < rbj            > F8 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB6A6267F0, 16 bytes long.
 Data: < rbj            > D0 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CB6A626D40, 16 bytes long.
 Data: < rbj            > A8 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CB6A626430, 16 bytes long.
 Data: < rbj            > 80 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CB6A6262A0, 16 bytes long.
 Data: <@abj            > 40 61 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB6A626140, 40 bytes long.
 Data: < bbj    p aj    > A0 62 62 6A CB 01 00 00 70 94 61 6A CB 01 00 00 
{266} normal block at 0x000001CB6A626CF0, 16 bytes long.
 Data: <`rbj            > 60 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CB6A627150, 16 bytes long.
 Data: <8rbj            > 38 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB6A6207B0, 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 0x000001CB6A6268E0, 16 bytes long.
 Data: < rbj            > 10 72 62 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB6A627210, 992 bytes long.
 Data: < hbj      bj    > E0 68 62 6A CB 01 00 00 B0 07 62 6A CB 01 00 00 
{98} normal block at 0x000001CB6A621410, 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 0x000001CB6A61FE50, 16 bytes long.
 Data: <@ `j            > 40 C8 60 6A CB 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001CB6A60C840, 40 bytes long.
 Data: <P aj      bj    > 50 FE 61 6A CB 01 00 00 10 14 62 6A CB 01 00 00 
{75} normal block at 0x000001CB6A620120, 16 bytes long.
 Data: <  $#            > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001CB6A61FA40, 16 bytes long.
 Data: <@ $#            > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001CB6A61F9F0, 16 bytes long.
 Data: < W!#            > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CB6A61FA90, 16 bytes long.
 Data: < W!#            > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CB6A620080, 16 bytes long.
 Data: <P !#            > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CB6A61FF40, 16 bytes long.
 Data: <0 !#            > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CB6A620260, 16 bytes long.
 Data: <  !#            > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CB6A620580, 16 bytes long.
 Data: <  !#            > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CB6A620030, 16 bytes long.
 Data: <p !#            > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CB6A61FAE0, 16 bytes long.
 Data: <   #            > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>