Task 38608879
| Name | hif2a_A41_A38_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND5346_2 |
| Workunit | 31562049 |
| Created | 14 Apr 2026, 19:12:23 UTC |
| Sent | 14 Apr 2026, 19:12:27 UTC |
| Report deadline | 19 Apr 2026, 19:12:27 UTC |
| Received | 15 Apr 2026, 6:40:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617454 |
| Run time | 2 hours 17 min 38 sec |
| CPU time | 2 hours 10 min 44 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 37,179.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 467.55 MB |
| Peak swap size | 8.11 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:23:51 (17300): wrapper (7.9.26016): starting
06:23:51 (17300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A38_0.pdb
QB_A41_A38_0.xml
QB_A41_A38.inpcrd
QB_A41_A38_input.yaml
QB_A41_A38.pdb
QB_A41_A38.prmtop
QB_A41_A38_sys.xml
run.bat
run.sh
06:23:52 (17300): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:23:52 (17300): 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 'D:\Boinc\Data\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 'D:\Boinc\Data\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.
tar: run.log: file changed as we read it
08:40:00 (17300): C:/Windows/system32/cmd.exe exited; CPU time 7844.859375
08:40:00 (17300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
458 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: 146435607 bytes.
Dumping objects ->
{3835280} normal block at 0x000001CF1985CBF0, 48 bytes long.
Data: <PATH=D:\Boinc\Da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835269} normal block at 0x000001CF198F1960, 32 bytes long.
Data: <HOME=D:\Boinc\Da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835258} normal block at 0x000001CF198F0DC0, 32 bytes long.
Data: <TMP=D:\Boinc\Dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61 74
{3835247} normal block at 0x000001CF198F1120, 32 bytes long.
Data: <TEMP=D:\Boinc\Da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835236} normal block at 0x000001CF198F0E80, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835205} normal block at 0x000001CF1985C2C0, 48 bytes long.
Data: <PATH=D:\Boinc\Da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 44 61
{3835194} normal block at 0x000001CF17B8C830, 141 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) : {3835191} normal block at 0x000001CF17B2DAE0, 8 bytes long.
Data: < ÿ Ï > 00 00 FF 17 CF 01 00 00
{3834568} normal block at 0x000001CF17B8D050, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001CF17B2DD10, 8 bytes long.
Data: <°Ø± Ï > B0 D8 B1 17 CF 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001CF17B20E80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CF17B21E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001CF17B364F0, 16 bytes long.
Data: <xi³ Ï > 78 69 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CF17B361D0, 16 bytes long.
Data: <Pi³ Ï > 50 69 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CF17B30B70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001CF17B35CD0, 16 bytes long.
Data: <(i³ Ï > 28 69 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CF17B36180, 16 bytes long.
Data: < i³ Ï > 00 69 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CF17B36040, 16 bytes long.
Data: <Øh³ Ï > D8 68 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CF17B35870, 16 bytes long.
Data: <°h³ Ï > B0 68 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CF17B33AB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001CF17B36360, 16 bytes long.
Data: < ï± Ï > 98 EF B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CF17B31830, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001CF17B35AA0, 16 bytes long.
Data: <pï± Ï > 70 EF B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CF17B35780, 16 bytes long.
Data: <Hï± Ï > 48 EF B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CF17B35FF0, 16 bytes long.
Data: < ï± Ï > 20 EF B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CF17B36130, 16 bytes long.
Data: <øî± Ï > F8 EE B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CF17B35690, 16 bytes long.
Data: <Ðî± Ï > D0 EE B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CF17B35FA0, 16 bytes long.
Data: <¨î± Ï > A8 EE B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CF17B31770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001CF17B36400, 16 bytes long.
Data: < î± Ï > 80 EE B1 17 CF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CF17B1EE80, 320 bytes long.
Data: < d³ Ï p ³ Ï > 00 64 B3 17 CF 01 00 00 70 17 B3 17 CF 01 00 00
{274} normal block at 0x000001CF17B35E60, 16 bytes long.
Data: < h³ Ï > 90 68 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CF17B36090, 16 bytes long.
Data: <hh³ Ï > 68 68 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CF17B31470, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001CF17B35C80, 16 bytes long.
Data: <@h³ Ï > 40 68 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CF17B30990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001CF17B35D70, 16 bytes long.
Data: < g³ Ï > 88 67 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CF17B365E0, 16 bytes long.
Data: <`g³ Ï > 60 67 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CF17B35960, 16 bytes long.
Data: <8g³ Ï > 38 67 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CF17B35820, 16 bytes long.
Data: < g³ Ï > 10 67 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CF17B35730, 16 bytes long.
Data: <èf³ Ï > E8 66 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CF17B35F50, 16 bytes long.
Data: <Àf³ Ï > C0 66 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CF17B357D0, 16 bytes long.
Data: < <³ Ï > 00 3C B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CF17B33C00, 40 bytes long.
Data: <ÐW³ Ï ÀÂ… Ï > D0 57 B3 17 CF 01 00 00 C0 C2 85 19 CF 01 00 00
{260} normal block at 0x000001CF17B36590, 16 bytes long.
Data: < f³ Ï > A0 66 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CF17B36310, 16 bytes long.
Data: <xf³ Ï > 78 66 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CF17B31410, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001CF17B35910, 16 bytes long.
Data: <Pf³ Ï > 50 66 B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001CF17B36650, 992 bytes long.
Data: < Y³ Ï ³ Ï > 10 59 B3 17 CF 01 00 00 10 14 B3 17 CF 01 00 00
{92} normal block at 0x000001CF17B30C30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001CF17B2D450, 16 bytes long.
Data: <p<³ Ï > 70 3C B3 17 CF 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001CF17B33C70, 40 bytes long.
Data: <PÔ² Ï 0 ³ Ï > 50 D4 B2 17 CF 01 00 00 30 0C B3 17 CF 01 00 00
{69} normal block at 0x000001CF17B2DA40, 16 bytes long.
Data: < êÝ»÷ > 80 EA DD BB F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CF17B2D720, 16 bytes long.
Data: <@éÝ»÷ > 40 E9 DD BB F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CF17B2D9A0, 16 bytes long.
Data: <øWÚ»÷ > F8 57 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CF17B2D6D0, 16 bytes long.
Data: <ØWÚ»÷ > D8 57 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CF17B2DCC0, 16 bytes long.
Data: <P Ú»÷ > 50 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CF17B2D950, 16 bytes long.
Data: <0 Ú»÷ > 30 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CF17B2D1D0, 16 bytes long.
Data: <à Ú»÷ > E0 02 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CF17B2D400, 16 bytes long.
Data: < Ú»÷ > 10 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CF17B2D770, 16 bytes long.
Data: <p Ú»÷ > 70 04 DA BB F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CF17B2D630, 16 bytes long.
Data: < ÀØ»÷ > 18 C0 D8 BB F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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