Task 38648481
| Name | test_284-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND4060_0 |
| Workunit | 31593182 |
| Created | 23 Oct 2026, 20:42:40 UTC |
| Sent | 24 Oct 2026, 1:44:11 UTC |
| Report deadline | 29 Oct 2026, 1:44:11 UTC |
| Received | 24 Oct 2026, 19:30:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654379 |
| Run time | 27 min 24 sec |
| CPU time | 27 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 564.47 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:56:19 (28844): wrapper (7.9.26016): starting
19:56:19 (28844): 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
19:56:20 (28844): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:56:20 (28844): 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\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 'C:\ProgramData\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) : {3835174} normal block at 0x000001C9BD08DCE0, 8 bytes long.
Data: < > 00 00 03 BD C9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000001C9BD16E580, 1080 bytes long.
Data: <X > 58 A8 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001C9BD091850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:28:10 (40436): wrapper (7.9.26016): starting
10:28:10 (40436): 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\18\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
11:31:28 (40436): C:/Windows/system32/cmd.exe exited; CPU time 1644.734375
11:31:28 (40436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 100401397 bytes.
Dumping objects ->
{1603} normal block at 0x0000019E8D134200, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000019E8D134510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x0000019E8D134190, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x0000019E8D133FD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x0000019E8D134040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x0000019E8D1294A0, 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) : {1515} normal block at 0x0000019E8D1369E0, 8 bytes long.
Data: < > 00 00 0C 8D 9E 01 00 00
{310} normal block at 0x0000019E8D135EA0, 8 bytes long.
Data: < p > 00 70 13 8D 9E 01 00 00
{301} normal block at 0x0000019E8D126B70, 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 0x0000019E8D1363A0, 16 bytes long.
Data: < o > 08 6F 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019E8D135F90, 16 bytes long.
Data: < n > E0 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019E8D12FB20, 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 0x0000019E8D136670, 16 bytes long.
Data: < n > B8 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019E8D135F40, 16 bytes long.
Data: < n > 90 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019E8D1365D0, 16 bytes long.
Data: <hn > 68 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019E8D136990, 16 bytes long.
Data: <@n > 40 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019E8D134120, 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 0x0000019E8D136940, 16 bytes long.
Data: < > 98 F1 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019E8D12FCA0, 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 0x0000019E8D136850, 16 bytes long.
Data: <p > 70 F1 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019E8D136B20, 16 bytes long.
Data: <H > 48 F1 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019E8D135D10, 16 bytes long.
Data: < > 20 F1 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019E8D136170, 16 bytes long.
Data: < > F8 F0 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019E8D136300, 16 bytes long.
Data: < > D0 F0 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019E8D135EF0, 16 bytes long.
Data: < > A8 F0 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019E8D12F880, 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 0x0000019E8D135D60, 16 bytes long.
Data: < > 80 F0 12 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019E8D12F080, 320 bytes long.
Data: <`] > 60 5D 13 8D 9E 01 00 00 80 F8 12 8D 9E 01 00 00
{280} normal block at 0x0000019E8D136530, 16 bytes long.
Data: < n > 20 6E 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019E8D135E50, 16 bytes long.
Data: < m > F8 6D 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019E8D130060, 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 0x0000019E8D135FE0, 16 bytes long.
Data: < m > D0 6D 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019E8D12F700, 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 0x0000019E8D136580, 16 bytes long.
Data: < m > 18 6D 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019E8D136120, 16 bytes long.
Data: < l > F0 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019E8D136A80, 16 bytes long.
Data: < l > C8 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019E8D136AD0, 16 bytes long.
Data: < l > A0 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019E8D1362B0, 16 bytes long.
Data: <xl > 78 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019E8D1360D0, 16 bytes long.
Data: <Pl > 50 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019E8D136800, 16 bytes long.
Data: < E > 80 45 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019E8D134580, 40 bytes long.
Data: < h > 00 68 13 8D 9E 01 00 00 A0 94 12 8D 9E 01 00 00
{266} normal block at 0x0000019E8D1368F0, 16 bytes long.
Data: <0l > 30 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019E8D1364E0, 16 bytes long.
Data: < l > 08 6C 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019E8D12F760, 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 0x0000019E8D136490, 16 bytes long.
Data: < k > E0 6B 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019E8D136BE0, 992 bytes long.
Data: < d ` > 90 64 13 8D 9E 01 00 00 60 F7 12 8D 9E 01 00 00
{98} normal block at 0x0000019E8D12F7C0, 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 0x0000019E8D12DF60, 16 bytes long.
Data: <PC > 50 43 13 8D 9E 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x0000019E8D134350, 40 bytes long.
Data: <` > 60 DF 12 8D 9E 01 00 00 C0 F7 12 8D 9E 01 00 00
{75} normal block at 0x0000019E8D12DDD0, 16 bytes long.
Data: < < > 80 EA E6 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019E8D12E1E0, 16 bytes long.
Data: <@ < > 40 E9 E6 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019E8D12E280, 16 bytes long.
Data: < W < > F8 57 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019E8D12E4B0, 16 bytes long.
Data: < W < > D8 57 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019E8D12DD80, 16 bytes long.
Data: <P < > 50 04 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019E8D12E190, 16 bytes long.
Data: <0 < > 30 04 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019E8D12DBF0, 16 bytes long.
Data: < < > E0 02 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019E8D12D6A0, 16 bytes long.
Data: < < > 10 04 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019E8D12D740, 16 bytes long.
Data: <p < > 70 04 E3 3C F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019E8D12D650, 16 bytes long.
Data: < < > 18 C0 E1 3C F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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