Task 38595966
| Name | p38_A14_A22_r0_4-QUICO_ATM_GAFF2_LOMAP_P38_2-5-6-RND4673_1 |
| Workunit | 31552075 |
| Created | 22 Feb 2026, 23:28:12 UTC |
| Sent | 22 Feb 2026, 23:28:14 UTC |
| Report deadline | 27 Feb 2026, 23:28:14 UTC |
| Received | 25 Feb 2026, 13:25:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 596137 |
| Run time | 2 days 13 hours 51 min 38 sec |
| CPU time | 2 days 13 hours 30 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,672.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 673.02 MB |
| Peak swap size | 3.82 GB |
| Peak disk usage | 3.22 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:30:52 (2713156): wrapper (7.9.26016): starting
00:30:52 (2713156): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A22_0.pdb
QB_A14_A22_0.xml
QB_A14_A22_equil.pdb
QB_A14_A22.inpcrd
QB_A14_A22_input.yaml
QB_A14_A22_mdlambda.pdb
QB_A14_A22_min.pdb
QB_A14_A22_npt.pdb
QB_A14_A22.pdb
QB_A14_A22.prmtop
QB_A14_A22_sys.xml
QB_A14_A22_therm.pdb
run.bat
run.sh
00:30:54 (2713156): Library/usr/bin/tar.exe exited; CPU time 0.078125
00:30:54 (2713156): 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\3\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\3\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.
12:21:33 (10068): wrapper (7.9.26016): starting
12:21:33 (10068): 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\3\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: Exiting with failure status due to previous errors
14:23:08 (10068): C:/Windows/system32/cmd.exe exited; CPU time 7167.687500
14:23:08 (10068): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 86368050 bytes.
Dumping objects ->
{1535} normal block at 0x000001C5EC64B050, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1524} normal block at 0x000001C5EC64B520, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1513} normal block at 0x000001C5EC64B750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1502} normal block at 0x000001C5EC64B440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1491} normal block at 0x000001C5EC64B6E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1460} normal block at 0x000001C5EC636210, 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) : {1447} normal block at 0x000001C5EC652540, 8 bytes long.
Data: < > 00 00 03 EE C5 01 00 00
{302} normal block at 0x000001C5EC651FA0, 8 bytes long.
Data: < 7e > 80 37 65 EC C5 01 00 00
{293} normal block at 0x000001C5EC63A960, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000001C5EC6521D0, 16 bytes long.
Data: < 6e > 88 36 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C5EC652EA0, 16 bytes long.
Data: <`6e > 60 36 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C5EC64C6E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000001C5EC652C70, 16 bytes long.
Data: <86e > 38 36 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C5EC6524F0, 16 bytes long.
Data: < 6e > 10 36 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C5EC652CC0, 16 bytes long.
Data: < 5e > E8 35 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C5EC652D10, 16 bytes long.
Data: < 5e > C0 35 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C5EC64B670, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000001C5EC652180, 16 bytes long.
Data: < d > 88 C4 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C5EC64CBC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000001C5EC652E50, 16 bytes long.
Data: <` d > 60 C4 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C5EC652B80, 16 bytes long.
Data: <8 d > 38 C4 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C5EC652AE0, 16 bytes long.
Data: < d > 10 C4 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C5EC652130, 16 bytes long.
Data: < d > E8 C3 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C5EC652C20, 16 bytes long.
Data: < d > C0 C3 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C5EC652A40, 16 bytes long.
Data: < d > 98 C3 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C5EC64CEC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000001C5EC6524A0, 16 bytes long.
Data: <p d > 70 C3 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C5EC64C370, 320 bytes long.
Data: < $e d > A0 24 65 EC C5 01 00 00 C0 CE 64 EC C5 01 00 00
{272} normal block at 0x000001C5EC6529F0, 16 bytes long.
Data: < 5e > A0 35 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C5EC652950, 16 bytes long.
Data: <x5e > 78 35 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C5EC64C5C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000001C5EC652E00, 16 bytes long.
Data: <P5e > 50 35 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C5EC64CE00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000001C5EC652EF0, 16 bytes long.
Data: < 4e > 98 34 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C5EC6529A0, 16 bytes long.
Data: <p4e > 70 34 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C5EC652BD0, 16 bytes long.
Data: <H4e > 48 34 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C5EC652860, 16 bytes long.
Data: < 4e > 20 34 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C5EC6523B0, 16 bytes long.
Data: < 3e > F8 33 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C5EC652360, 16 bytes long.
Data: < 3e > D0 33 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C5EC652810, 16 bytes long.
Data: < d > C0 B0 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C5EC64B0C0, 40 bytes long.
Data: < (e bc > 10 28 65 EC C5 01 00 00 10 62 63 EC C5 01 00 00
{258} normal block at 0x000001C5EC6527C0, 16 bytes long.
Data: < 3e > B0 33 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C5EC652770, 16 bytes long.
Data: < 3e > 88 33 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C5EC64CC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000001C5EC652A90, 16 bytes long.
Data: <`3e > 60 33 65 EC C5 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C5EC653360, 992 bytes long.
Data: < *e d > 90 2A 65 EC C5 01 00 00 20 CC 64 EC C5 01 00 00
{90} normal block at 0x000001C5EC64CA40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000001C5EC646730, 16 bytes long.
Data: < d > D0 B3 64 EC C5 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000001C5EC64B3D0, 40 bytes long.
Data: <0gd @ d > 30 67 64 EC C5 01 00 00 40 CA 64 EC C5 01 00 00
{67} normal block at 0x000001C5EC646AA0, 16 bytes long.
Data: < c > 80 EA 81 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C5EC646870, 16 bytes long.
Data: <@ c > 40 E9 81 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C5EC6471D0, 16 bytes long.
Data: < W~c > F8 57 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C5EC6465A0, 16 bytes long.
Data: < W~c > D8 57 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C5EC646690, 16 bytes long.
Data: <P ~c > 50 04 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C5EC646320, 16 bytes long.
Data: <0 ~c > 30 04 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C5EC646550, 16 bytes long.
Data: < ~c > E0 02 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C5EC646500, 16 bytes long.
Data: < ~c > 10 04 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C5EC6468C0, 16 bytes long.
Data: <p ~c > 70 04 7E 63 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C5EC6464B0, 16 bytes long.
Data: < |c > 18 C0 7C 63 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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