Task 38613670
| Name | p38_A27_A26_r0_3-QUICO_ATM_OpenFF_p38-2-6-RND2401_0 |
| Workunit | 31566113 |
| Created | 16 Apr 2026, 23:50:28 UTC |
| Sent | 16 Apr 2026, 23:50:37 UTC |
| Report deadline | 21 Apr 2026, 23:50:37 UTC |
| Received | 18 Apr 2026, 4:53:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651871 |
| Run time | 8 hours 34 min 2 sec |
| CPU time | 8 hours 34 min 2 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,690.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.98 MB |
| Peak swap size | 9.81 GB |
| Peak disk usage | 3.10 GB |
Stderr output
<core_client_version>7.20.2</core_client_version>
<![CDATA[
<stderr_txt>
22:56:40 (2316): wrapper (7.9.26016): starting
22:56:40 (2316): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A26_0.pdb
QB_A27_A26_0.xml
QB_A27_A26.inpcrd
QB_A27_A26_input.yaml
QB_A27_A26.pdb
QB_A27_A26.prmtop
QB_A27_A26_sys.xml
run.bat
run.sh
22:56:43 (2316): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:43 (2316): 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\2\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\2\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
06:53:00 (2316): C:/Windows/system32/cmd.exe exited; CPU time 30842.562500
06:53:00 (2316): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 280428527 bytes.
Dumping objects ->
{3835306} normal block at 0x0000014187931640, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835295} normal block at 0x00000141879313A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835284} normal block at 0x0000014187930A00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835273} normal block at 0x0000014187931480, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x00000141879307D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835231} normal block at 0x0000014187A25060, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000014187974DC0, 180 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) : {3835217} normal block at 0x0000014185D17D70, 8 bytes long.
Data: < ‡A > 00 00 81 87 41 01 00 00
{3834572} normal block at 0x0000014187974550, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x0000014185D17FA0, 8 bytes long.
Data: <€ ¨‡A > 80 0B A8 87 41 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000014185D212A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014185D05BE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000014185D22560, 16 bytes long.
Data: <Ø4Ò…A > D8 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000014185D22330, 16 bytes long.
Data: <°4Ò…A > B0 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000014185D1DDD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000014185D22240, 16 bytes long.
Data: < 4Ò…A > 88 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014185D224C0, 16 bytes long.
Data: <`4Ò…A > 60 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014185D221F0, 16 bytes long.
Data: <84Ò…A > 38 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014185D22EC0, 16 bytes long.
Data: < 4Ò…A > 10 34 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014185D1BF70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000014185D22C40, 16 bytes long.
Data: <x[Ð…A > 78 5B D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000014185D1DCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000014185D230F0, 16 bytes long.
Data: <P[Ð…A > 50 5B D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000014185D22FB0, 16 bytes long.
Data: <([Ð…A > 28 5B D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014185D230A0, 16 bytes long.
Data: < [Ð…A > 00 5B D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000014185D23050, 16 bytes long.
Data: <ØZÐ…A > D8 5A D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000014185D22830, 16 bytes long.
Data: <°ZÐ…A > B0 5A D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000014185D22E70, 16 bytes long.
Data: < ZÐ…A > 88 5A D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000014185D1E010, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000014185D22420, 16 bytes long.
Data: <`ZÐ…A > 60 5A D0 85 41 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014185D05A60, 320 bytes long.
Data: < $Ò…A àÑ…A > 20 24 D2 85 41 01 00 00 10 E0 D1 85 41 01 00 00
{268} normal block at 0x0000014185D22A60, 16 bytes long.
Data: <ð3Ò…A > F0 33 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014185D229C0, 16 bytes long.
Data: <È3Ò…A > C8 33 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014185D1D290, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000014185D22E20, 16 bytes long.
Data: < 3Ò…A > A0 33 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014185D1DC50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000014185D227E0, 16 bytes long.
Data: <è2Ò…A > E8 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000014185D22A10, 16 bytes long.
Data: <À2Ò…A > C0 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014185D22F60, 16 bytes long.
Data: < 2Ò…A > 98 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000014185D225B0, 16 bytes long.
Data: <p2Ò…A > 70 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000014185D22F10, 16 bytes long.
Data: <H2Ò…A > 48 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000014185D22740, 16 bytes long.
Data: < 2Ò…A > 20 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000014185D22600, 16 bytes long.
Data: <ðÂÑ…A > F0 C2 D1 85 41 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000014185D1C2F0, 40 bytes long.
Data: < &Ò…A `P¢‡A > 00 26 D2 85 41 01 00 00 60 50 A2 87 41 01 00 00
{254} normal block at 0x0000014185D22650, 16 bytes long.
Data: < 2Ò…A > 00 32 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000014185D22D80, 16 bytes long.
Data: <Ø1Ò…A > D8 31 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000014185D1DBF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000014185D22790, 16 bytes long.
Data: <°1Ò…A > B0 31 D2 85 41 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000014185D231B0, 992 bytes long.
Data: <'Ò…A ðÛÑ…A > 90 27 D2 85 41 01 00 00 F0 DB D1 85 41 01 00 00
{86} normal block at 0x0000014185D1DB90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000014185D17F00, 16 bytes long.
Data: <`ÃÑ…A > 60 C3 D1 85 41 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000014185D1C360, 40 bytes long.
Data: < Ñ…A ÛÑ…A > 00 7F D1 85 41 01 00 00 90 DB D1 85 41 01 00 00
{63} normal block at 0x0000014185D18130, 16 bytes long.
Data: <€ê˦ö > 80 EA CB A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014185D177D0, 16 bytes long.
Data: <@é˦ö > 40 E9 CB A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000014185D17320, 16 bytes long.
Data: <øWȦö > F8 57 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000014185D17F50, 16 bytes long.
Data: <ØWȦö > D8 57 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000014185D17870, 16 bytes long.
Data: <P Ȧö > 50 04 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000014185D17C30, 16 bytes long.
Data: <0 Ȧö > 30 04 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000014185D17550, 16 bytes long.
Data: <à Ȧö > E0 02 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000014185D17BE0, 16 bytes long.
Data: < Ȧö > 10 04 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000014185D17AA0, 16 bytes long.
Data: <p Ȧö > 70 04 C8 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000014185D17500, 16 bytes long.
Data: < ÀƦö > 18 C0 C6 A6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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