Task 38648294
| Name | test_512-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND0500_1 |
| Workunit | 31592352 |
| Created | 23 Oct 2026, 20:37:02 UTC |
| Sent | 23 Oct 2026, 23:59:55 UTC |
| Report deadline | 28 Oct 2026, 23:59:55 UTC |
| Received | 25 Oct 2026, 6:10:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 618393 |
| Run time | 49 min 2 sec |
| CPU time | 39 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,214.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.46 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:01:05 (22288): wrapper (7.9.26016): starting
09:01:05 (22288): 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
09:01:06 (22288): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:01:06 (22288): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835321} normal block at 0x0000018C3C330340, 8 bytes long.
Data: < < > 00 00 85 3C 8C 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000018C3E576820, 1080 bytes long.
Data: < h > 18 81 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018C3C32D3A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:56:19 (4756): wrapper (7.9.26016): starting
20:56:19 (4756): 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) : {1558} normal block at 0x000001BAE1E87C50, 8 bytes long.
Data: < > > 00 00 3E E2 BA 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001BAE1E88450, 1080 bytes long.
Data: < l t > 20 6C 00 00 CD CD CD CD 74 00 00 00 00 00 00 00
Object dump complete.
14:34:32 (4908): wrapper (7.9.26016): starting
14:34:32 (4908): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\16\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
15:08:43 (4908): C:/Windows/system32/cmd.exe exited; CPU time 1498.250000
15:08:43 (4908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 42118325 bytes.
Dumping objects ->
{1647} normal block at 0x0000019850CF75A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1636} normal block at 0x0000019850CF7920, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1625} normal block at 0x0000019850CF77D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1614} normal block at 0x0000019850CF76F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000019850CF78B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1572} normal block at 0x0000019850CF15A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1561} normal block at 0x0000019850CDC7B0, 140 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) : {1558} normal block at 0x0000019850CF8420, 8 bytes long.
Data: < $Q > 00 00 24 51 98 01 00 00
{928} normal block at 0x0000019850CDBC10, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x0000019850CF8A60, 8 bytes long.
Data: < P > F0 8E CF 50 98 01 00 00
{301} normal block at 0x0000019850CE8E80, 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 0x0000019850CF7B10, 16 bytes long.
Data: < P > F8 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019850CF8240, 16 bytes long.
Data: < P > D0 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019850CF2030, 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 0x0000019850CF84C0, 16 bytes long.
Data: < P > A8 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019850CF8470, 16 bytes long.
Data: < P > 80 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019850CF8150, 16 bytes long.
Data: <X P > 58 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019850CF8330, 16 bytes long.
Data: <0 P > 30 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019850CF7680, 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 0x0000019850CF7F70, 16 bytes long.
Data: < P > D8 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019850CF1AF0, 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 0x0000019850CF83D0, 16 bytes long.
Data: < P > B0 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019850CF88D0, 16 bytes long.
Data: < P > 88 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019850CF8830, 16 bytes long.
Data: <` P > 60 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019850CF8100, 16 bytes long.
Data: <8 P > 38 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019850CF8920, 16 bytes long.
Data: < P > 10 13 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019850CF7DE0, 16 bytes long.
Data: < P > E8 12 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019850CF24B0, 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 0x0000019850CF82E0, 16 bytes long.
Data: < P > C0 12 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019850CF12C0, 320 bytes long.
Data: < P $ P > E0 82 CF 50 98 01 00 00 B0 24 CF 50 98 01 00 00
{280} normal block at 0x0000019850CF8290, 16 bytes long.
Data: < P > 10 8D CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019850CF80B0, 16 bytes long.
Data: < P > E8 8C CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019850CF2270, 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 0x0000019850CF7D40, 16 bytes long.
Data: < P > C0 8C CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019850CF1A90, 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 0x0000019850CF7F20, 16 bytes long.
Data: < P > 08 8C CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019850CF8650, 16 bytes long.
Data: < P > E0 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019850CF7CA0, 16 bytes long.
Data: < P > B8 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019850CF8060, 16 bytes long.
Data: < P > 90 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019850CF8560, 16 bytes long.
Data: <h P > 68 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019850CF8380, 16 bytes long.
Data: <@ P > 40 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019850CF7D90, 16 bytes long.
Data: < s P > 00 73 CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019850CF7300, 40 bytes long.
Data: < } P P > 90 7D CF 50 98 01 00 00 A0 15 CF 50 98 01 00 00
{266} normal block at 0x0000019850CF7ED0, 16 bytes long.
Data: < P > 20 8B CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019850CF81F0, 16 bytes long.
Data: < P > F8 8A CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019850CF1850, 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 0x0000019850CF7E80, 16 bytes long.
Data: < P > D0 8A CF 50 98 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019850CF8AD0, 992 bytes long.
Data: < ~ P P P > 80 7E CF 50 98 01 00 00 50 18 CF 50 98 01 00 00
{98} normal block at 0x0000019850CF2390, 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 0x0000019850CEF680, 16 bytes long.
Data: < P > 20 07 CE 50 98 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000019850CE0720, 40 bytes long.
Data: < P # P > 80 F6 CE 50 98 01 00 00 90 23 CF 50 98 01 00 00
{73} normal block at 0x0000019850CEF9A0, 16 bytes long.
Data: < > 80 EA B0 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019850CEFDB0, 16 bytes long.
Data: <@ > 40 E9 B0 DB F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019850CEF720, 16 bytes long.
Data: < W > F8 57 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019850CF00D0, 16 bytes long.
Data: < W > D8 57 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019850CF0210, 16 bytes long.
Data: <P > 50 04 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019850CF03A0, 16 bytes long.
Data: <0 > 30 04 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019850CF0350, 16 bytes long.
Data: < > E0 02 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019850CF0440, 16 bytes long.
Data: < > 10 04 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019850CEFFE0, 16 bytes long.
Data: <p > 70 04 AD DB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019850CEF7C0, 16 bytes long.
Data: < > 18 C0 AB DB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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