Task 38618309
| Name | hif2a_2_A34_A04_r0_4-QUICO_ATM_OpenFF_NAGL_hif2a_2-4-6-RND2735_0 |
| Workunit | 31569824 |
| Created | 18 Apr 2026, 11:44:34 UTC |
| Sent | 18 Apr 2026, 11:44:40 UTC |
| Report deadline | 23 Apr 2026, 11:44:40 UTC |
| Received | 18 Apr 2026, 14:44:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649517 |
| Run time | 2 hours 59 min 12 sec |
| CPU time | 2 hours 48 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,961.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 462.79 MB |
| Peak swap size | 9.49 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:46:00 (26704): wrapper (7.9.26016): starting
13:46:00 (26704): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A04_0.pdb
QB_A34_A04_0.xml
QB_A34_A04.inpcrd
QB_A34_A04_input.yaml
QB_A34_A04.pdb
QB_A34_A04.prmtop
QB_A34_A04_sys.xml
run.bat
run.sh
13:46:01 (26704): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:46:01 (26704): 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\0\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\0\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
16:43:58 (26704): C:/Windows/system32/cmd.exe exited; CPU time 10092.359375
16:43:58 (26704): 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: 282332493 bytes.
Dumping objects ->
{3835226} normal block at 0x0000024A3E7479D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x0000024A3E748140, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x0000024A3E747C70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835193} normal block at 0x0000024A3E747570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x0000024A3E7472D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835151} normal block at 0x0000024A3CA5B960, 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) : {3835138} normal block at 0x0000024A3CA2CCB0, 8 bytes long.
Data: <  <J > 00 00 A0 3C 4A 02 00 00
{3833985} normal block at 0x0000024A3CA2D4D0, 8 bytes long.
Data: <pëY>J > 70 EB 59 3E 4A 02 00 00
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000024A3CA28550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000024A3CA290F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{308} normal block at 0x0000024A3CA37C00, 16 bytes long.
Data: < Ž£<J > 98 8E A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000024A3CA38060, 16 bytes long.
Data: <pŽ£<J > 70 8E A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000024A3CA310D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{305} normal block at 0x0000024A3CA38330, 16 bytes long.
Data: <HŽ£<J > 48 8E A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000024A3CA37BB0, 16 bytes long.
Data: < Ž£<J > 20 8E A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000024A3CA38010, 16 bytes long.
Data: <ø £<J > F8 8D A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000024A3CA389C0, 16 bytes long.
Data: <Ð £<J > D0 8D A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000024A3CA362E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{300} normal block at 0x0000024A3CA37FC0, 16 bytes long.
Data: <¨ ¢<J > A8 07 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024A3CA31070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{298} normal block at 0x0000024A3CA37F70, 16 bytes long.
Data: < ¢<J > 80 07 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024A3CA383D0, 16 bytes long.
Data: <X ¢<J > 58 07 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024A3CA37C50, 16 bytes long.
Data: <0 ¢<J > 30 07 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024A3CA380B0, 16 bytes long.
Data: < ¢<J > 08 07 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024A3CA37ED0, 16 bytes long.
Data: <à ¢<J > E0 06 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024A3CA388D0, 16 bytes long.
Data: <¸ ¢<J > B8 06 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024A3CA319D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{290} normal block at 0x0000024A3CA38100, 16 bytes long.
Data: < ¢<J > 90 06 A2 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024A3CA20690, 320 bytes long.
Data: < £<J Ð £<J > 00 81 A3 3C 4A 02 00 00 D0 19 A3 3C 4A 02 00 00
{288} normal block at 0x0000024A3CA38920, 16 bytes long.
Data: <° £<J > B0 8D A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024A3CA38880, 16 bytes long.
Data: < £<J > 88 8D A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024A3CA313D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{285} normal block at 0x0000024A3CA38830, 16 bytes long.
Data: <` £<J > 60 8D A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024A3CA31190, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{283} normal block at 0x0000024A3CA387E0, 16 bytes long.
Data: <¨Œ£<J > A8 8C A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024A3CA37CF0, 16 bytes long.
Data: < Σ<J > 80 8C A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024A3CA37D90, 16 bytes long.
Data: <XΣ<J > 58 8C A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024A3CA381A0, 16 bytes long.
Data: <0Σ<J > 30 8C A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024A3CA384C0, 16 bytes long.
Data: < Σ<J > 08 8C A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024A3CA38A60, 16 bytes long.
Data: <à‹£<J > E0 8B A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024A3CA38650, 16 bytes long.
Data: < ^£<J > 10 5E A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024A3CA35E10, 40 bytes long.
Data: <P†£<J `¹¥<J > 50 86 A3 3C 4A 02 00 00 60 B9 A5 3C 4A 02 00 00
{274} normal block at 0x0000024A3CA38150, 16 bytes long.
Data: <À‹£<J > C0 8B A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024A3CA38A10, 16 bytes long.
Data: < ‹£<J > 98 8B A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024A3CA31670, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{271} normal block at 0x0000024A3CA37E30, 16 bytes long.
Data: <p‹£<J > 70 8B A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024A3CA38B70, 992 bytes long.
Data: <0~£<J p £<J > 30 7E A3 3C 4A 02 00 00 70 16 A3 3C 4A 02 00 00
{106} normal block at 0x0000024A3CA31A90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{105} normal block at 0x0000024A3CA2CC10, 16 bytes long.
Data: <0d£<J > 30 64 A3 3C 4A 02 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x0000024A3CA36430, 40 bytes long.
Data: < Ì¢<J £<J > 10 CC A2 3C 4A 02 00 00 90 1A A3 3C 4A 02 00 00
{83} normal block at 0x0000024A3CA2CE90, 16 bytes long.
Data: < êòiö > 80 EA F2 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000024A3CA2CE40, 16 bytes long.
Data: <@éòiö > 40 E9 F2 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000024A3CA2CDF0, 16 bytes long.
Data: <øWïiö > F8 57 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000024A3CA2CB70, 16 bytes long.
Data: <ØWïiö > D8 57 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000024A3CA2D200, 16 bytes long.
Data: <P ïiö > 50 04 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000024A3CA2CAD0, 16 bytes long.
Data: <0 ïiö > 30 04 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000024A3CA2CDA0, 16 bytes long.
Data: <à ïiö > E0 02 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000024A3CA2CC60, 16 bytes long.
Data: < ïiö > 10 04 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000024A3CA2C8F0, 16 bytes long.
Data: <p ïiö > 70 04 EF 69 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000024A3CA2CD50, 16 bytes long.
Data: < Àíiö > 18 C0 ED 69 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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