Task 38677641
| Name | test_889-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4358_0 |
| Workunit | 31619505 |
| Created | 26 Oct 2026, 14:57:37 UTC |
| Sent | 26 Oct 2026, 14:57:41 UTC |
| Report deadline | 31 Oct 2026, 14:57:41 UTC |
| Received | 26 Oct 2026, 16:54:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 23 min 10 sec |
| CPU time | 23 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.31 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:58:25 (36296): wrapper (7.9.26016): starting
15:58:25 (36296): 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
15:58:26 (36296): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:58:26 (36296): 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\1\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\1\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) : {3835431} normal block at 0x000002065AD9EEB0, 8 bytes long.
Data: < Z > 00 00 D6 5A 06 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000002065CA3BCF0, 1080 bytes long.
Data: < [ > 14 5B 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002065ADA24F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:15:46 (21532): wrapper (7.9.26016): starting
16:15:46 (21532): 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\1\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x000001E237CB5920, 8 bytes long.
Data: < 7 > 00 00 C3 37 E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001E237CB4F20, 1080 bytes long.
Data: <,N T > 2C 4E 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
17:05:23 (27760): wrapper (7.9.26016): starting
17:05:23 (27760): 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\1\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
17:54:11 (27760): C:/Windows/system32/cmd.exe exited; CPU time 77.156250
17:54:11 (27760): 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: 46475046 bytes.
Dumping objects ->
{1861} normal block at 0x000001BD78934630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1850} normal block at 0x000001BD78934010, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000001BD789341D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1828} normal block at 0x000001BD789345C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x000001BD78934160, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1786} normal block at 0x000001BD7891F010, 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) : {1773} normal block at 0x000001BD78936B40, 8 bytes long.
Data: < x > 00 00 F2 78 BD 01 00 00
{309} normal block at 0x000001BD78936A00, 8 bytes long.
Data: < o x > D0 6F 93 78 BD 01 00 00
{300} normal block at 0x000001BD78926DE0, 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 0x000001BD789363C0, 16 bytes long.
Data: < n x > D8 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BD78936000, 16 bytes long.
Data: < n x > B0 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BD7892F7F0, 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 0x000001BD78936460, 16 bytes long.
Data: < n x > 88 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BD78935BF0, 16 bytes long.
Data: <`n x > 60 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BD78935FB0, 16 bytes long.
Data: <8n x > 38 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BD78936320, 16 bytes long.
Data: < n x > 10 6E 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BD78933FA0, 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 0x000001BD78936280, 16 bytes long.
Data: <8 x > 38 96 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BD78930450, 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 0x000001BD789366E0, 16 bytes long.
Data: < x > 10 96 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BD78936230, 16 bytes long.
Data: < x > E8 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BD789369B0, 16 bytes long.
Data: < x > C0 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BD78935E20, 16 bytes long.
Data: < x > 98 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BD789362D0, 16 bytes long.
Data: <p x > 70 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BD78936690, 16 bytes long.
Data: <H x > 48 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BD7892FBB0, 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 0x000001BD78935D80, 16 bytes long.
Data: < x > 20 95 92 78 BD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BD78929520, 320 bytes long.
Data: < ] x x > 80 5D 93 78 BD 01 00 00 B0 FB 92 78 BD 01 00 00
{279} normal block at 0x000001BD78935F60, 16 bytes long.
Data: < m x > F0 6D 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BD78936820, 16 bytes long.
Data: < m x > C8 6D 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BD7892FAF0, 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 0x000001BD78936960, 16 bytes long.
Data: < m x > A0 6D 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BD78930030, 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 0x000001BD789361E0, 16 bytes long.
Data: < l x > E8 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BD78936640, 16 bytes long.
Data: < l x > C0 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BD789367D0, 16 bytes long.
Data: < l x > 98 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BD78936190, 16 bytes long.
Data: <pl x > 70 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BD78936140, 16 bytes long.
Data: <Hl x > 48 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BD789365F0, 16 bytes long.
Data: < l x > 20 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BD789368C0, 16 bytes long.
Data: <PE x > 50 45 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BD78934550, 40 bytes long.
Data: < h x x > C0 68 93 78 BD 01 00 00 10 F0 91 78 BD 01 00 00
{265} normal block at 0x000001BD78936870, 16 bytes long.
Data: < l x > 00 6C 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BD78936500, 16 bytes long.
Data: < k x > D8 6B 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BD7892FCD0, 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 0x000001BD78936910, 16 bytes long.
Data: < k x > B0 6B 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BD78936BB0, 992 bytes long.
Data: < i x x > 10 69 93 78 BD 01 00 00 D0 FC 92 78 BD 01 00 00
{97} normal block at 0x000001BD7892FE50, 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 0x000001BD7892E1E0, 16 bytes long.
Data: < D x > E0 44 93 78 BD 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001BD789344E0, 40 bytes long.
Data: < x P x > E0 E1 92 78 BD 01 00 00 50 FE 92 78 BD 01 00 00
{74} normal block at 0x000001BD7892DD30, 16 bytes long.
Data: < T > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001BD7892E460, 16 bytes long.
Data: <@ T > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BD7892D9C0, 16 bytes long.
Data: < WQ > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BD7892DEC0, 16 bytes long.
Data: < WQ > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BD7892E190, 16 bytes long.
Data: <P Q > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BD7892DD80, 16 bytes long.
Data: <0 Q > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BD7892D920, 16 bytes long.
Data: < Q > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BD7892DB50, 16 bytes long.
Data: < Q > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BD7892E3C0, 16 bytes long.
Data: <p Q > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BD7892DC90, 16 bytes long.
Data: < O > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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