Task 38668497
| Name | test_205-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND6604_1 |
| Workunit | 31609924 |
| Created | 25 Oct 2026, 11:56:52 UTC |
| Sent | 25 Oct 2026, 11:56:57 UTC |
| Report deadline | 30 Oct 2026, 11:56:57 UTC |
| Received | 25 Oct 2026, 20:40:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652367 |
| Run time | 1 hours 24 min 2 sec |
| CPU time | 1 hours 15 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 24,724.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.37 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:10:12 (28440): wrapper (7.9.26016): starting
22:10:12 (28440): 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
22:10:16 (28440): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:10:16 (28440): 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\17\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\17\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) : {3835441} normal block at 0x000001CAC46CE530, 8 bytes long.
Data: < e > 00 00 65 C4 CA 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001CAC6443740, 1080 bytes long.
Data: <, > 2C A5 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001CAC46D2380, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:17:31 (36504): wrapper (7.9.26016): starting
23:17:31 (36504): 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\17\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
23:38:38 (36504): C:/Windows/system32/cmd.exe exited; CPU time 1153.234375
23:38:39 (36504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 29470691 bytes.
Dumping objects ->
{1871} normal block at 0x00000254393F51E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1860} normal block at 0x00000254393F52C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x00000254393F5100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1838} normal block at 0x00000254393F5410, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1827} normal block at 0x00000254393F5640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1796} normal block at 0x00000254393EF840, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x00000254393DC8B0, 102 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) : {1782} normal block at 0x00000254393F68F0, 8 bytes long.
Data: < 99T > 00 00 39 39 54 02 00 00
{1039} normal block at 0x00000254393F5DB0, 102 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 0x00000254393F6BC0, 8 bytes long.
Data: <`t?9T > 60 74 3F 39 54 02 00 00
{301} normal block at 0x00000254393E69D0, 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 0x00000254393F6B70, 16 bytes long.
Data: <hs?9T > 68 73 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000254393F6580, 16 bytes long.
Data: <@s?9T > 40 73 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000254393F0650, 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 0x00000254393F6FD0, 16 bytes long.
Data: < s?9T > 18 73 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000254393F6620, 16 bytes long.
Data: < r?9T > F0 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000254393F63F0, 16 bytes long.
Data: < r?9T > C8 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000254393F6B20, 16 bytes long.
Data: < r?9T > A0 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000254393F55D0, 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 0x00000254393F6800, 16 bytes long.
Data: <h =9T > 68 FA 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000254393EFCF0, 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 0x00000254393F6760, 16 bytes long.
Data: <@ =9T > 40 FA 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000254393F6850, 16 bytes long.
Data: < =9T > 18 FA 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000254393F6530, 16 bytes long.
Data: < =9T > F0 F9 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000254393F6350, 16 bytes long.
Data: < =9T > C8 F9 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000254393F6D50, 16 bytes long.
Data: < =9T > A0 F9 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000254393F65D0, 16 bytes long.
Data: <x =9T > 78 F9 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000254393EF9F0, 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 0x00000254393F6CB0, 16 bytes long.
Data: <P =9T > 50 F9 3D 39 54 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000254393DF950, 320 bytes long.
Data: < l?9T >9T > B0 6C 3F 39 54 02 00 00 F0 F9 3E 39 54 02 00 00
{280} normal block at 0x00000254393F69E0, 16 bytes long.
Data: < r?9T > 80 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000254393F6260, 16 bytes long.
Data: <Xr?9T > 58 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000254393F07D0, 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 0x00000254393F6670, 16 bytes long.
Data: <0r?9T > 30 72 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000254393F01D0, 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 0x00000254393F6990, 16 bytes long.
Data: <xq?9T > 78 71 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000254393F6300, 16 bytes long.
Data: <Pq?9T > 50 71 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000254393F6940, 16 bytes long.
Data: <(q?9T > 28 71 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000254393F61C0, 16 bytes long.
Data: < q?9T > 00 71 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000254393F6AD0, 16 bytes long.
Data: < p?9T > D8 70 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000254393F6A80, 16 bytes long.
Data: < p?9T > B0 70 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000254393F6170, 16 bytes long.
Data: <pQ?9T > 70 51 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000254393F5170, 40 bytes long.
Data: <pa?9T @ >9T > 70 61 3F 39 54 02 00 00 40 F8 3E 39 54 02 00 00
{266} normal block at 0x00000254393F6A30, 16 bytes long.
Data: < p?9T > 90 70 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000254393F6120, 16 bytes long.
Data: <hp?9T > 68 70 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000254393F00B0, 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 0x00000254393F6210, 16 bytes long.
Data: <@p?9T > 40 70 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000254393F7040, 992 bytes long.
Data: < b?9T ?9T > 10 62 3F 39 54 02 00 00 B0 00 3F 39 54 02 00 00
{98} normal block at 0x00000254393EFD50, 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 0x00000254393EDC70, 16 bytes long.
Data: < P?9T > 90 50 3F 39 54 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000254393F5090, 40 bytes long.
Data: <p >9T P >9T > 70 DC 3E 39 54 02 00 00 50 FD 3E 39 54 02 00 00
{75} normal block at 0x00000254393EE030, 16 bytes long.
Data: < > 80 EA 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000254393EE350, 16 bytes long.
Data: <@ > 40 E9 9A 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000254393EE0D0, 16 bytes long.
Data: < W > F8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000254393EE440, 16 bytes long.
Data: < W > D8 57 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000254393EDFE0, 16 bytes long.
Data: <P > 50 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000254393EE120, 16 bytes long.
Data: <0 > 30 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000254393EE4E0, 16 bytes long.
Data: < > E0 02 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000254393EE850, 16 bytes long.
Data: < > 10 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000254393EE620, 16 bytes long.
Data: <p > 70 04 97 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000254393EE210, 16 bytes long.
Data: < > 18 C0 95 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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