Task 38696200
| Name | test_732-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6387_0 |
| Workunit | 31636844 |
| Created | 31 Oct 2026, 20:33:22 UTC |
| Sent | 31 Oct 2026, 20:33:25 UTC |
| Report deadline | 5 Nov 2026, 20:33:25 UTC |
| Received | 2 Nov 2026, 9:25:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654983 |
| Run time | 46 min 1 sec |
| CPU time | 35 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,329.38 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.30 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:38:09 (5648): wrapper (7.9.26016): starting
21:38:09 (5648): 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
21:38:12 (5648): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:38:12 (5648): 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) : {3835154} normal block at 0x0000020120151410, 8 bytes long.
Data: < > 00 00 F2 1F 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x0000020121D9AF30, 1080 bytes long.
Data: < l d > 9C 6C 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000020120147600, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:57:28 (2252): wrapper (7.9.26016): starting
09:57:28 (2252): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo C:\ProgramData\BOINC\slots\0\tmp.
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
10:24:50 (2252): C:/Windows/system32/cmd.exe exited; CPU time 1224.218750
10:24:50 (2252): 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: 34730816 bytes.
Dumping objects ->
{1582} normal block at 0x00000267DF68C8F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x00000267DF68C570, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x00000267DF68C3B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1549} normal block at 0x00000267DF68C7A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1538} normal block at 0x00000267DF68C730, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1507} normal block at 0x00000267DF6889C0, 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) : {1494} normal block at 0x00000267DF68D460, 8 bytes long.
Data: < H g > 00 00 48 DF 67 02 00 00
{311} normal block at 0x00000267DF68D550, 8 bytes long.
Data: <P h g > 50 E9 68 DF 67 02 00 00
{302} normal block at 0x00000267DF677DA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000267DF68DB90, 16 bytes long.
Data: <X h g > 58 E8 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000267DF68DDC0, 16 bytes long.
Data: <0 h g > 30 E8 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000267DF6874F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000267DF68DAF0, 16 bytes long.
Data: < h g > 08 E8 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000267DF68D410, 16 bytes long.
Data: < h g > E0 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000267DF68D3C0, 16 bytes long.
Data: < h g > B8 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000267DF68D820, 16 bytes long.
Data: < h g > 90 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000267DF68CFF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000267DF68DFA0, 16 bytes long.
Data: < g g > B8 05 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000267DF686FB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000267DF68D9B0, 16 bytes long.
Data: < g g > 90 05 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000267DF68DE60, 16 bytes long.
Data: <h g g > 68 05 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000267DF68D7D0, 16 bytes long.
Data: <@ g g > 40 05 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000267DF68DAA0, 16 bytes long.
Data: < g g > 18 05 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000267DF68E310, 16 bytes long.
Data: < g g > F0 04 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000267DF68DB40, 16 bytes long.
Data: < g g > C8 04 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000267DF6867D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000267DF68E180, 16 bytes long.
Data: < g g > A0 04 67 DF 67 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000267DF6704A0, 320 bytes long.
Data: < h g gh g > 80 E1 68 DF 67 02 00 00 D0 67 68 DF 67 02 00 00
{281} normal block at 0x00000267DF68E2C0, 16 bytes long.
Data: <p h g > 70 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000267DF68D500, 16 bytes long.
Data: <H h g > 48 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000267DF686A10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000267DF68E1D0, 16 bytes long.
Data: < h g > 20 E7 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000267DF6871F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000267DF68D4B0, 16 bytes long.
Data: <h h g > 68 E6 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000267DF68D910, 16 bytes long.
Data: <@ h g > 40 E6 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000267DF68DC30, 16 bytes long.
Data: < h g > 18 E6 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000267DF68D5A0, 16 bytes long.
Data: < h g > F0 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000267DF68DD70, 16 bytes long.
Data: < h g > C8 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000267DF68E040, 16 bytes long.
Data: < h g > A0 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000267DF68DF50, 16 bytes long.
Data: < h g > B0 D1 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000267DF68D1B0, 40 bytes long.
Data: <P h g h g > 50 DF 68 DF 67 02 00 00 C0 89 68 DF 67 02 00 00
{267} normal block at 0x00000267DF68DFF0, 16 bytes long.
Data: < h g > 80 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000267DF68DA50, 16 bytes long.
Data: <X h g > 58 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000267DF687070, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000267DF68D8C0, 16 bytes long.
Data: <0 h g > 30 E5 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000267DF68E530, 992 bytes long.
Data: < h g pph g > C0 D8 68 DF 67 02 00 00 70 70 68 DF 67 02 00 00
{99} normal block at 0x00000267DF686890, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000267DF680D80, 16 bytes long.
Data: < [h g > F0 5B 68 DF 67 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000267DF685BF0, 40 bytes long.
Data: < h g hh g > 80 0D 68 DF 67 02 00 00 90 68 68 DF 67 02 00 00
{76} normal block at 0x00000267DF6811E0, 16 bytes long.
Data: < > 80 EA 87 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000267DF6813C0, 16 bytes long.
Data: <@ > 40 E9 87 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000267DF681230, 16 bytes long.
Data: < W > F8 57 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000267DF680C90, 16 bytes long.
Data: < W > D8 57 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000267DF680F10, 16 bytes long.
Data: <P > 50 04 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000267DF680B50, 16 bytes long.
Data: <0 > 30 04 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000267DF681050, 16 bytes long.
Data: < > E0 02 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000267DF6808D0, 16 bytes long.
Data: < > 10 04 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000267DF681320, 16 bytes long.
Data: <p > 70 04 84 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000267DF680E70, 16 bytes long.
Data: < > 18 C0 82 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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