Task 38681289
| Name | test_726-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1953_0 |
| Workunit | 31622961 |
| Created | 27 Oct 2026, 3:23:59 UTC |
| Sent | 27 Oct 2026, 3:24:02 UTC |
| Report deadline | 1 Nov 2026, 3:24:02 UTC |
| Received | 27 Oct 2026, 3:56:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619953 |
| Run time | 31 min 31 sec |
| CPU time | 27 min 43 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,149.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.22 MB |
| Peak swap size | 5.40 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:25:57 (14272): wrapper (7.9.26016): starting
12:25:57 (14272): 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
12:25:59 (14272): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:25:59 (14272): 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 'E:\BoincData\slots\12\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 'E:\BoincData\slots\12\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.
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
12:56:09 (14272): C:/Windows/system32/cmd.exe exited; CPU time 1663.671875
12:56:09 (14272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 39376575 bytes.
Dumping objects ->
{3835399} normal block at 0x000002A7E8A16C90, 48 bytes long.
Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74
{3835388} normal block at 0x000002A7EAB013E0, 32 bytes long.
Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74
{3835377} normal block at 0x000002A7EAB015C0, 32 bytes long.
Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835366} normal block at 0x000002A7EAB01140, 32 bytes long.
Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74
{3835355} normal block at 0x000002A7EAB01860, 32 bytes long.
Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44
{3835324} normal block at 0x000002A7E8A16C20, 48 bytes long.
Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74
{3835313} normal block at 0x000002A7EAACFE00, 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) : {3835310} normal block at 0x000002A7E8A0F000, 8 bytes long.
Data: < § > 00 00 ED E8 A7 02 00 00
{3834688} normal block at 0x000002A7EAACFD50, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834077} normal block at 0x000002A7E8A0EB00, 8 bytes long.
Data: < § > 90 E5 9F E8 A7 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002A7E8A10560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002A7E8A070C0, 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 0x000002A7E8A18150, 16 bytes long.
Data: <Ø ¡ § > D8 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002A7E8A17F70, 16 bytes long.
Data: <° ¡ § > B0 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A7E8A125C0, 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 0x000002A7E8A17D40, 16 bytes long.
Data: < ¡ § > 88 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002A7E8A179D0, 16 bytes long.
Data: <` ¡ § > 60 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A7E8A17480, 16 bytes long.
Data: <8 ¡ § > 38 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A7E8A17C00, 16 bytes long.
Data: < ¡ § > 10 85 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A7E8A167C0, 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 0x000002A7E8A17E30, 16 bytes long.
Data: <X § > 58 F4 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002A7E8A12860, 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 0x000002A7E8A17980, 16 bytes long.
Data: <0 § > 30 F4 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A7E8A17BB0, 16 bytes long.
Data: < § > 08 F4 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A7E8A178E0, 16 bytes long.
Data: < § > E0 F3 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A7E8A181A0, 16 bytes long.
Data: <¸ § > B8 F3 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A7E8A17570, 16 bytes long.
Data: < § > 90 F3 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A7E8A17930, 16 bytes long.
Data: <h § > 68 F3 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A7E8A12A40, 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 0x000002A7E8A17890, 16 bytes long.
Data: <@ § > 40 F3 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A7E89FF340, 320 bytes long.
Data: < x¡ § @*¡ § > 90 78 A1 E8 A7 02 00 00 40 2A A1 E8 A7 02 00 00
{281} normal block at 0x000002A7E8A17B10, 16 bytes long.
Data: < ¡ § > F0 84 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A7E8A17A70, 16 bytes long.
Data: <È ¡ § > C8 84 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A7E8A11F60, 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 0x000002A7E8A17AC0, 16 bytes long.
Data: < ¡ § > A0 84 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A7E8A12560, 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 0x000002A7E8A17ED0, 16 bytes long.
Data: < ¡ § > E8 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A7E8A17CF0, 16 bytes long.
Data: <À ¡ § > C0 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A7E8A18240, 16 bytes long.
Data: < ¡ § > 98 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A7E8A17840, 16 bytes long.
Data: <p ¡ § > 70 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A7E8A17700, 16 bytes long.
Data: <H ¡ § > 48 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A7E8A18060, 16 bytes long.
Data: < ¡ § > 20 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A7E8A177F0, 16 bytes long.
Data: <°k¡ § > B0 6B A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A7E8A16BB0, 40 bytes long.
Data: < w¡ § l¡ § > F0 77 A1 E8 A7 02 00 00 20 6C A1 E8 A7 02 00 00
{267} normal block at 0x000002A7E8A176B0, 16 bytes long.
Data: < ¡ § > 00 83 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A7E8A17CA0, 16 bytes long.
Data: <Ø ¡ § > D8 82 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A7E8A12800, 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 0x000002A7E8A17DE0, 16 bytes long.
Data: <° ¡ § > B0 82 A1 E8 A7 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A7E8A182B0, 992 bytes long.
Data: < }¡ § (¡ § > E0 7D A1 E8 A7 02 00 00 00 28 A1 E8 A7 02 00 00
{99} normal block at 0x000002A7E8A12920, 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 0x000002A7E8A0F690, 16 bytes long.
Data: < Ô § > 90 D4 9F E8 A7 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002A7E89FD490, 40 bytes long.
Data: < § )¡ § > 90 F6 A0 E8 A7 02 00 00 20 29 A1 E8 A7 02 00 00
{74} normal block at 0x000002A7E8A0EC40, 16 bytes long.
Data: < > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A7E8A0F050, 16 bytes long.
Data: <@ > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A7E8A0EFB0, 16 bytes long.
Data: < W > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A7E8A0F500, 16 bytes long.
Data: <ØW > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A7E8A0F2D0, 16 bytes long.
Data: <P > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A7E8A0E830, 16 bytes long.
Data: <0 > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A7E8A0ED30, 16 bytes long.
Data: < > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A7E8A0EBF0, 16 bytes long.
Data: < > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A7E8A0F550, 16 bytes long.
Data: <p > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A7E8A0F4B0, 16 bytes long.
Data: < À > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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