Task 38677898
| Name | test_259-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND0641_0 |
| Workunit | 31619752 |
| Created | 26 Oct 2026, 15:44:12 UTC |
| Sent | 26 Oct 2026, 15:44:20 UTC |
| Report deadline | 31 Oct 2026, 15:44:20 UTC |
| Received | 26 Oct 2026, 18:24:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609955 |
| Run time | 35 min 15 sec |
| CPU time | 28 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.46 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.96 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:11:16 (40884): wrapper (7.9.26016): starting
02:11:16 (40884): 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
02:11:18 (40884): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:11:18 (40884): 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 'D:\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 'D:\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) : {3835489} normal block at 0x00000168619CEAD0, 8 bytes long.
Data: < Vch > 00 00 56 63 68 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834068} normal block at 0x00000168619D4B60, 1080 bytes long.
Data: < D > 98 95 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000168619C6DD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:54:08 (13104): wrapper (7.9.26016): starting
02:54:08 (13104): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\BOINC\slots\18\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
03:22:06 (13104): C:/Windows/system32/cmd.exe exited; CPU time 1670.312500
03:22:06 (13104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 32209629 bytes.
Dumping objects ->
{1818} normal block at 0x000001DA4C4D51B0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1807} normal block at 0x000001DA4C4D1170, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1796} normal block at 0x000001DA4C4D0D50, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1785} normal block at 0x000001DA4C4D1050, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1774} normal block at 0x000001DA4C4D14D0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1743} normal block at 0x000001DA4C4D54C0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1732} normal block at 0x000001DA4C4D5FB0, 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) : {1729} normal block at 0x000001DA4C4D6CD0, 8 bytes long.
Data: < EL > 00 00 45 4C DA 01 00 00
{1007} normal block at 0x000001DA4C4BEED0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{309} normal block at 0x000001DA4C4D6AA0, 8 bytes long.
Data: < tML > D0 74 4D 4C DA 01 00 00
{300} normal block at 0x000001DA4C4C8130, 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 0x000001DA4C4D6A50, 16 bytes long.
Data: < sML > D8 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001DA4C4D6C80, 16 bytes long.
Data: < sML > B0 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DA4C4D10B0, 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 0x000001DA4C4D6910, 16 bytes long.
Data: < sML > 88 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DA4C4D68C0, 16 bytes long.
Data: <`sML > 60 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DA4C4D6D20, 16 bytes long.
Data: <8sML > 38 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DA4C4D6870, 16 bytes long.
Data: < sML > 10 73 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DA4C4D5370, 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 0x000001DA4C4D6320, 16 bytes long.
Data: < KL > D8 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DA4C4D0F30, 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 0x000001DA4C4D6F00, 16 bytes long.
Data: < KL > B0 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DA4C4D6820, 16 bytes long.
Data: < KL > 88 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DA4C4D6550, 16 bytes long.
Data: <` KL > 60 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DA4C4D61E0, 16 bytes long.
Data: <8 KL > 38 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DA4C4D6EB0, 16 bytes long.
Data: < KL > 10 BE 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DA4C4D60F0, 16 bytes long.
Data: < KL > E8 BD 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DA4C4D13B0, 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 0x000001DA4C4D6460, 16 bytes long.
Data: < KL > C0 BD 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DA4C4BBDC0, 320 bytes long.
Data: <`dML ML > 60 64 4D 4C DA 01 00 00 B0 13 4D 4C DA 01 00 00
{279} normal block at 0x000001DA4C4D62D0, 16 bytes long.
Data: < rML > F0 72 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DA4C4D6AF0, 16 bytes long.
Data: < rML > C8 72 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DA4C4D0FF0, 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 0x000001DA4C4D6280, 16 bytes long.
Data: < rML > A0 72 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DA4C4D0BD0, 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 0x000001DA4C4D6410, 16 bytes long.
Data: < qML > E8 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DA4C4D6780, 16 bytes long.
Data: < qML > C0 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DA4C4D6730, 16 bytes long.
Data: < qML > 98 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DA4C4D69B0, 16 bytes long.
Data: <pqML > 70 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DA4C4D6960, 16 bytes long.
Data: <HqML > 48 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DA4C4D6690, 16 bytes long.
Data: < qML > 20 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DA4C4D67D0, 16 bytes long.
Data: < RML > 20 52 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DA4C4D5220, 40 bytes long.
Data: < gML TML > D0 67 4D 4C DA 01 00 00 C0 54 4D 4C DA 01 00 00
{265} normal block at 0x000001DA4C4D6BE0, 16 bytes long.
Data: < qML > 00 71 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DA4C4D66E0, 16 bytes long.
Data: < pML > D8 70 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DA4C4D0CF0, 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 0x000001DA4C4D6A00, 16 bytes long.
Data: < pML > B0 70 4D 4C DA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DA4C4D70B0, 992 bytes long.
Data: < jML ML > 00 6A 4D 4C DA 01 00 00 F0 0C 4D 4C DA 01 00 00
{97} normal block at 0x000001DA4C4D1830, 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 0x000001DA4C4CEB20, 16 bytes long.
Data: <P KL > 50 CB 4B 4C DA 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001DA4C4BCB50, 40 bytes long.
Data: < LL 0 ML > 20 EB 4C 4C DA 01 00 00 30 18 4D 4C DA 01 00 00
{72} normal block at 0x000001DA4C4CEA30, 16 bytes long.
Data: < > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DA4C4CEC60, 16 bytes long.
Data: <@ > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DA4C4CF2A0, 16 bytes long.
Data: < W > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DA4C4CF520, 16 bytes long.
Data: < W > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DA4C4CEFD0, 16 bytes long.
Data: <P > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DA4C4CEEE0, 16 bytes long.
Data: <0 > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DA4C4CF890, 16 bytes long.
Data: < > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DA4C4CF0C0, 16 bytes long.
Data: < > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DA4C4CEC10, 16 bytes long.
Data: <p > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DA4C4CED50, 16 bytes long.
Data: < > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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