Task 38627581
| Name | PTP1B_A19_A07_r0_1-QUICO_ATM_OpenFF23_NAGL_PTP1B-5-6-RND5340_1 |
| Workunit | 31576139 |
| Created | 24 Apr 2026, 12:24:49 UTC |
| Sent | 24 Apr 2026, 13:18:34 UTC |
| Report deadline | 29 Apr 2026, 13:18:34 UTC |
| Received | 24 Apr 2026, 17:27:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646677 |
| Run time | 3 hours 52 min 54 sec |
| CPU time | 3 hours 52 min 54 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 36,846.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 559.01 MB |
| Peak swap size | 12.80 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:37:09 (20564): wrapper (7.9.26016): starting
15:37:09 (20564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A07_0.pdb
QB_A19_A07_0.xml
QB_A19_A07.inpcrd
QB_A19_A07_input.yaml
QB_A19_A07.pdb
QB_A19_A07.prmtop
QB_A19_A07_sys.xml
run.bat
run.sh
15:37:10 (20564): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:37:10 (20564): 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
19:27:09 (20564): C:/Windows/system32/cmd.exe exited; CPU time 13974.750000
19:27:09 (20564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 179236475 bytes.
Dumping objects ->
{3835369} normal block at 0x00000119D83D0CA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835358} normal block at 0x00000119D83D0ED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835347} normal block at 0x00000119D83D1100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835336} normal block at 0x00000119D83D0BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835325} normal block at 0x00000119D83D1330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835294} normal block at 0x00000119D847C750, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x00000119D68AE550, 235 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) : {3835280} normal block at 0x00000119D68A5650, 8 bytes long.
Data: < Ö > 00 00 88 D6 19 01 00 00
{3834616} normal block at 0x00000119D68AE7B0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000119D68A5600, 8 bytes long.
Data: <@uMØ > 40 75 4D D8 19 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000119D68B1F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000119D689B1D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000119D68B3BA0, 16 bytes long.
Data: <x@‹Ö > 78 40 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000119D68B3790, 16 bytes long.
Data: <P@‹Ö > 50 40 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000119D68AC300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000119D68B39C0, 16 bytes long.
Data: <(@‹Ö > 28 40 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000119D68B3830, 16 bytes long.
Data: < @‹Ö > 00 40 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000119D68B3A60, 16 bytes long.
Data: <Ø?‹Ö > D8 3F 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000119D68B3240, 16 bytes long.
Data: <°?‹Ö > B0 3F 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000119D68AAA90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000119D68B2F70, 16 bytes long.
Data: <ØQ‰Ö > D8 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000119D68AC780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000119D68B2DE0, 16 bytes long.
Data: <°Q‰Ö > B0 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000119D68B3CE0, 16 bytes long.
Data: < Q‰Ö > 88 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000119D68B31F0, 16 bytes long.
Data: <`Q‰Ö > 60 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000119D68B3150, 16 bytes long.
Data: <8Q‰Ö > 38 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000119D68B3510, 16 bytes long.
Data: < Q‰Ö > 10 51 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000119D68B3330, 16 bytes long.
Data: <èP‰Ö > E8 50 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000119D68AC8A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000119D68B3B50, 16 bytes long.
Data: <ÀP‰Ö > C0 50 89 D6 19 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000119D68950C0, 320 bytes long.
Data: <P;‹Ö  ÈŠÖ > 50 3B 8B D6 19 01 00 00 A0 C8 8A D6 19 01 00 00
{273} normal block at 0x00000119D68B30B0, 16 bytes long.
Data: < ?‹Ö > 90 3F 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000119D68B31A0, 16 bytes long.
Data: <h?‹Ö > 68 3F 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000119D68ACAE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000119D68B3B00, 16 bytes long.
Data: <@?‹Ö > 40 3F 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000119D68AC360, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000119D68B3920, 16 bytes long.
Data: < >‹Ö > 88 3E 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000119D68B3740, 16 bytes long.
Data: <`>‹Ö > 60 3E 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000119D68B3A10, 16 bytes long.
Data: <8>‹Ö > 38 3E 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000119D68B3060, 16 bytes long.
Data: < >‹Ö > 10 3E 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000119D68B36A0, 16 bytes long.
Data: <è=‹Ö > E8 3D 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000119D68B3AB0, 16 bytes long.
Data: <À=‹Ö > C0 3D 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000119D68B2E80, 16 bytes long.
Data: <°©ŠÖ > B0 A9 8A D6 19 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000119D68AA9B0, 40 bytes long.
Data: < .‹Ö PÇGØ > 80 2E 8B D6 19 01 00 00 50 C7 47 D8 19 01 00 00
{259} normal block at 0x00000119D68B2E30, 16 bytes long.
Data: < =‹Ö > A0 3D 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000119D68B2D90, 16 bytes long.
Data: <x=‹Ö > 78 3D 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000119D68ACC60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000119D68B37E0, 16 bytes long.
Data: <P=‹Ö > 50 3D 8B D6 19 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000119D68B3D50, 992 bytes long.
Data: <à7‹Ö `ÌŠÖ > E0 37 8B D6 19 01 00 00 60 CC 8A D6 19 01 00 00
{91} normal block at 0x00000119D68AC600, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000119D68A6050, 16 bytes long.
Data: <ШŠÖ > D0 A8 8A D6 19 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000119D68AA8D0, 40 bytes long.
Data: <P`ŠÖ ÆŠÖ > 50 60 8A D6 19 01 00 00 00 C6 8A D6 19 01 00 00
{68} normal block at 0x00000119D68A5F10, 16 bytes long.
Data: < êù\÷ > 80 EA F9 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000119D68A6140, 16 bytes long.
Data: <@éù\÷ > 40 E9 F9 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000119D68A60F0, 16 bytes long.
Data: <øWö\÷ > F8 57 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000119D68A5D80, 16 bytes long.
Data: <ØWö\÷ > D8 57 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000119D68A5E20, 16 bytes long.
Data: <P ö\÷ > 50 04 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000119D68A5BA0, 16 bytes long.
Data: <0 ö\÷ > 30 04 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000119D68A54C0, 16 bytes long.
Data: <à ö\÷ > E0 02 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000119D68A59C0, 16 bytes long.
Data: < ö\÷ > 10 04 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000119D68A5F60, 16 bytes long.
Data: <p ö\÷ > 70 04 F6 5C F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000119D68A5D30, 16 bytes long.
Data: < Àô\÷ > 18 C0 F4 5C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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