Task 38680131
| Name | test_773-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4634_0 |
| Workunit | 31621870 |
| Created | 26 Oct 2026, 22:54:47 UTC |
| Sent | 26 Oct 2026, 22:54:56 UTC |
| Report deadline | 31 Oct 2026, 22:54:56 UTC |
| Received | 27 Oct 2026, 0:24:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652159 |
| Run time | 58 min 34 sec |
| CPU time | 54 min 28 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 53,456.43 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.88 MB |
| Peak swap size | 7.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:12:34 (6268): wrapper (7.9.26016): starting
02:12:34 (6268): 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
02:12:37 (6268): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:12:37 (6268): 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\4\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\4\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) : {3835547} normal block at 0x0000027A407BE230, 8 bytes long.
Data: < @z > 00 00 C0 40 7A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000027A424B3630, 1080 bytes long.
Data: < / > B0 2F 00 00 CD CD CD CD 84 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000027A407C2190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
02:41:43 (6532): wrapper (7.9.26016): starting
02:41:43 (6532): 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\4\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
03:23:53 (6532): C:/Windows/system32/cmd.exe exited; CPU time 2498.843750
03:23:53 (6532): 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: 44319638 bytes.
Dumping objects ->
{1982} normal block at 0x00000263061853A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1971} normal block at 0x00000263061854F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1960} normal block at 0x00000263061852C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1949} normal block at 0x00000263061856B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1938} normal block at 0x0000026306185480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1907} normal block at 0x000002630617F120, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1896} normal block at 0x000002630616E9C0, 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) : {1893} normal block at 0x0000026306185E80, 8 bytes long.
Data: < c > 00 00 11 06 63 02 00 00
{1078} normal block at 0x000002630616D610, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{305} normal block at 0x0000026306186010, 8 bytes long.
Data: < p c > 80 70 18 06 63 02 00 00
{296} normal block at 0x00000263061766C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000026306185CF0, 16 bytes long.
Data: < o c > 88 6F 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026306186BF0, 16 bytes long.
Data: <`o c > 60 6F 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002630617FF60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000026306186AB0, 16 bytes long.
Data: <8o c > 38 6F 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026306186240, 16 bytes long.
Data: < o c > 10 6F 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026306186380, 16 bytes long.
Data: < n c > E8 6E 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026306185F20, 16 bytes long.
Data: < n c > C0 6E 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026306185330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000026306186420, 16 bytes long.
Data: <H c > 48 95 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002630617F600, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000026306186330, 16 bytes long.
Data: < c > 20 95 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026306185D40, 16 bytes long.
Data: < c > F8 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026306186290, 16 bytes long.
Data: < c > D0 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026306185ED0, 16 bytes long.
Data: < c > A8 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000263061869C0, 16 bytes long.
Data: < c > 80 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026306186970, 16 bytes long.
Data: <X c > 58 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002630617FA80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000026306185DE0, 16 bytes long.
Data: <0 c > 30 94 17 06 63 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026306179430, 320 bytes long.
Data: < ] c c > E0 5D 18 06 63 02 00 00 80 FA 17 06 63 02 00 00
{275} normal block at 0x0000026306186BA0, 16 bytes long.
Data: < n c > A0 6E 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026306186920, 16 bytes long.
Data: <xn c > 78 6E 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026306180200, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000026306186100, 16 bytes long.
Data: <Pn c > 50 6E 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002630617F6C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000026306186B00, 16 bytes long.
Data: < m c > 98 6D 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000263061863D0, 16 bytes long.
Data: <pm c > 70 6D 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026306186A60, 16 bytes long.
Data: <Hm c > 48 6D 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000263061866A0, 16 bytes long.
Data: < m c > 20 6D 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026306186880, 16 bytes long.
Data: < l c > F8 6C 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026306186650, 16 bytes long.
Data: < l c > D0 6C 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026306185CA0, 16 bytes long.
Data: < U c > D0 55 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000263061855D0, 40 bytes long.
Data: < \ c c > A0 5C 18 06 63 02 00 00 20 F1 17 06 63 02 00 00
{261} normal block at 0x0000026306186B50, 16 bytes long.
Data: < l c > B0 6C 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026306186830, 16 bytes long.
Data: < l c > 88 6C 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000263061802C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000263061868D0, 16 bytes long.
Data: <`l c > 60 6C 18 06 63 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026306186C60, 992 bytes long.
Data: < h c c > D0 68 18 06 63 02 00 00 C0 02 18 06 63 02 00 00
{93} normal block at 0x00000263061800E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002630617DBA0, 16 bytes long.
Data: < c > 20 CA 16 06 63 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002630616CA20, 40 bytes long.
Data: < c c > A0 DB 17 06 63 02 00 00 E0 00 18 06 63 02 00 00
{70} normal block at 0x000002630617D740, 16 bytes long.
Data: < /c > 80 EA 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002630617D9C0, 16 bytes long.
Data: <@ /c > 40 E9 2F 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002630617E1E0, 16 bytes long.
Data: < W,c > F8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002630617E2D0, 16 bytes long.
Data: < W,c > D8 57 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002630617E320, 16 bytes long.
Data: <P ,c > 50 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002630617E370, 16 bytes long.
Data: <0 ,c > 30 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002630617DF60, 16 bytes long.
Data: < ,c > E0 02 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002630617D830, 16 bytes long.
Data: < ,c > 10 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002630617D7E0, 16 bytes long.
Data: <p ,c > 70 04 2C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002630617DB50, 16 bytes long.
Data: < *c > 18 C0 2A 63 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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