Task 38672356
| Name | test_349-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8978_0 |
| Workunit | 31614507 |
| Created | 25 Oct 2026, 23:11:09 UTC |
| Sent | 25 Oct 2026, 23:11:17 UTC |
| Report deadline | 30 Oct 2026, 23:11:17 UTC |
| Received | 25 Oct 2026, 23:47:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619953 |
| Run time | 32 min 2 sec |
| CPU time | 27 min 30 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 | 725.89 MB |
| Peak swap size | 5.41 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:14:14 (25128): wrapper (7.9.26016): starting
08:14:14 (25128): 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
08:14:16 (25128): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:14:16 (25128): 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\6\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\6\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
08:44:15 (25128): C:/Windows/system32/cmd.exe exited; CPU time 1650.437500
08:44:15 (25128): 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: 37295975 bytes.
Dumping objects ->
{3835399} normal block at 0x00000227D5AC6A00, 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 0x00000227D7A774A0, 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 0x00000227D7A776E0, 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 0x00000227D7A77CE0, 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 0x00000227D7A771A0, 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 0x00000227D5AC6990, 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 0x00000227D7A40980, 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 0x00000227D5ABEE30, 8 bytes long.
Data: < Õ' > 00 00 F6 D5 27 02 00 00
{3834688} normal block at 0x00000227D7A40090, 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 0x00000227D5ABF290, 8 bytes long.
Data: <ÀU«×' > C0 55 AB D7 27 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000227D5AC22B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000227D5AAF260, 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 0x00000227D5AC74F0, 16 bytes long.
Data: <Ø ¬Õ' > D8 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000227D5AC75E0, 16 bytes long.
Data: <° ¬Õ' > B0 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000227D5AC17A0, 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 0x00000227D5AC7C70, 16 bytes long.
Data: < ¬Õ' > 88 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000227D5AC7220, 16 bytes long.
Data: <` ¬Õ' > 60 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000227D5AC7810, 16 bytes long.
Data: <8 ¬Õ' > 38 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000227D5AC7A90, 16 bytes long.
Data: < ¬Õ' > 10 82 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000227D5AC6840, 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 0x00000227D5AC7E50, 16 bytes long.
Data: <XêÕ' > 58 C3 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000227D5AC1620, 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 0x00000227D5AC6FF0, 16 bytes long.
Data: <0êÕ' > 30 C3 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000227D5AC7DB0, 16 bytes long.
Data: < êÕ' > 08 C3 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000227D5AC73B0, 16 bytes long.
Data: < ªÕ' > E0 C2 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000227D5AC79F0, 16 bytes long.
Data: <¸ÂªÕ' > B8 C2 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000227D5AC7130, 16 bytes long.
Data: < ªÕ' > 90 C2 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000227D5AC7310, 16 bytes long.
Data: <hªÕ' > 68 C2 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000227D5AC1EC0, 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 0x00000227D5AC7E00, 16 bytes long.
Data: <@ªÕ' > 40 C2 AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000227D5AAC240, 320 bytes long.
Data: < ~¬Õ' À ¬Õ' > 00 7E AC D5 27 02 00 00 C0 1E AC D5 27 02 00 00
{281} normal block at 0x00000227D5AC7720, 16 bytes long.
Data: < ¬Õ' > F0 81 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000227D5AC7270, 16 bytes long.
Data: <È ¬Õ' > C8 81 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000227D5AC1560, 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 0x00000227D5AC7D60, 16 bytes long.
Data: < ¬Õ' > A0 81 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000227D5AC1C80, 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 0x00000227D5AC7180, 16 bytes long.
Data: < ¬Õ' > E8 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000227D5AC7770, 16 bytes long.
Data: <À ¬Õ' > C0 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000227D5AC7540, 16 bytes long.
Data: < ¬Õ' > 98 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000227D5AC72C0, 16 bytes long.
Data: <p ¬Õ' > 70 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000227D5AC7F40, 16 bytes long.
Data: <H ¬Õ' > 48 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000227D5AC7C20, 16 bytes long.
Data: < ¬Õ' > 20 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000227D5AC7CC0, 16 bytes long.
Data: < e¬Õ' > A0 65 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000227D5AC65A0, 40 bytes long.
Data: <À|¬Õ' i¬Õ' > C0 7C AC D5 27 02 00 00 90 69 AC D5 27 02 00 00
{267} normal block at 0x00000227D5AC76D0, 16 bytes long.
Data: < ¬Õ' > 00 80 AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000227D5AC7680, 16 bytes long.
Data: <Ø ¬Õ' > D8 7F AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000227D5AC1AA0, 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 0x00000227D5AC7900, 16 bytes long.
Data: <° ¬Õ' > B0 7F AC D5 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000227D5AC7FB0, 992 bytes long.
Data: < y¬Õ' ¬Õ' > 00 79 AC D5 27 02 00 00 A0 1A AC D5 27 02 00 00
{99} normal block at 0x00000227D5AC1980, 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 0x00000227D5ABE6B0, 16 bytes long.
Data: <`˪Õ' > 60 CB AA D5 27 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000227D5AACB60, 40 bytes long.
Data: <° «Õ' ¬Õ' > B0 E6 AB D5 27 02 00 00 80 19 AC D5 27 02 00 00
{74} normal block at 0x00000227D5ABE430, 16 bytes long.
Data: < 2@ > 80 EA 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000227D5ABEBB0, 16 bytes long.
Data: <@ 2@ > 40 E9 32 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000227D5ABEED0, 16 bytes long.
Data: < W/@ > F8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000227D5ABE7A0, 16 bytes long.
Data: <ØW/@ > D8 57 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000227D5ABE890, 16 bytes long.
Data: <P /@ > 50 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000227D5ABE8E0, 16 bytes long.
Data: <0 /@ > 30 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000227D5ABEB10, 16 bytes long.
Data: < /@ > E0 02 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000227D5ABF010, 16 bytes long.
Data: < /@ > 10 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000227D5ABE570, 16 bytes long.
Data: <p /@ > 70 04 2F 40 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000227D5ABEA70, 16 bytes long.
Data: < À-@ > 18 C0 2D 40 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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