Task 38613014
| Name | p38_A21_A11_r0_3-QUICO_ATM_OpenFF_p38-4-6-RND2526_0 |
| Workunit | 31565564 |
| Created | 16 Apr 2026, 14:45:14 UTC |
| Sent | 16 Apr 2026, 14:45:15 UTC |
| Report deadline | 21 Apr 2026, 14:45:15 UTC |
| Received | 17 Apr 2026, 7:04:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651346 |
| Run time | 7 hours 0 min 35 sec |
| CPU time | 6 hours 35 min 17 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,331.45 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 652.38 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:42:52 (10484): wrapper (7.9.26016): starting
18:42:52 (10484): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A11_0.pdb
QB_A21_A11_0.xml
QB_A21_A11.inpcrd
QB_A21_A11_input.yaml
QB_A21_A11.pdb
QB_A21_A11.prmtop
QB_A21_A11_sys.xml
run.bat
run.sh
18:42:53 (10484): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:53 (10484): 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
01:42:43 (10484): C:/Windows/system32/cmd.exe exited; CPU time 23717.015625
01:42:43 (10484): 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: 300859467 bytes.
Dumping objects ->
{3835568} normal block at 0x0000024DAD2C33C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835557} normal block at 0x0000024DAD2C3430, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835546} normal block at 0x0000024DAD2C3350, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835535} normal block at 0x0000024DAD2C3200, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835524} normal block at 0x0000024DAD2C30B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835493} normal block at 0x0000024DAF026140, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835482} normal block at 0x0000024DAD2B0120, 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) : {3835479} normal block at 0x0000024DAD2BD190, 8 bytes long.
Data: < k­M > 00 00 6B AD 4D 02 00 00
{3834703} normal block at 0x0000024DAD2AB620, 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 0x0000024DAD2BD280, 8 bytes long.
Data: < % ¯M > 10 25 08 AF 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024DAD2B07B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DAD2B1B00, 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 0x0000024DAD2C4160, 16 bytes long.
Data: <ØO,­M > D8 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DAD2C4520, 16 bytes long.
Data: <°O,­M > B0 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DAD2C07A0, 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 0x0000024DAD2C4070, 16 bytes long.
Data: < O,­M > 88 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DAD2C39E0, 16 bytes long.
Data: <`O,­M > 60 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DAD2C3FD0, 16 bytes long.
Data: <8O,­M > 38 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024DAD2C4430, 16 bytes long.
Data: < O,­M > 10 4F 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024DAD2AD420, 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 0x0000024DAD2C4110, 16 bytes long.
Data: < ²*­M > 98 B2 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DAD2C0680, 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 0x0000024DAD2C3E40, 16 bytes long.
Data: <p²*­M > 70 B2 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DAD2C3D00, 16 bytes long.
Data: <H²*­M > 48 B2 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DAD2C45C0, 16 bytes long.
Data: < ²*­M > 20 B2 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DAD2C3940, 16 bytes long.
Data: <ø±*­M > F8 B1 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024DAD2C42F0, 16 bytes long.
Data: <б*­M > D0 B1 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DAD2C38F0, 16 bytes long.
Data: <¨±*­M > A8 B1 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DAD2C0C20, 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 0x0000024DAD2C4480, 16 bytes long.
Data: < ±*­M > 80 B1 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DAD2AB180, 320 bytes long.
Data: < D,­M ,­M > 80 44 2C AD 4D 02 00 00 20 0C 2C AD 4D 02 00 00
{273} normal block at 0x0000024DAD2C3F30, 16 bytes long.
Data: <ðN,­M > F0 4E 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024DAD2C4200, 16 bytes long.
Data: <ÈN,­M > C8 4E 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DAD2C09E0, 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 0x0000024DAD2C4020, 16 bytes long.
Data: < N,­M > A0 4E 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DAD2C0920, 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 0x0000024DAD2C42A0, 16 bytes long.
Data: <èM,­M > E8 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DAD2C3F80, 16 bytes long.
Data: <ÀM,­M > C0 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DAD2C3DF0, 16 bytes long.
Data: < M,­M > 98 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DAD2C44D0, 16 bytes long.
Data: <pM,­M > 70 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024DAD2C4700, 16 bytes long.
Data: <HM,­M > 48 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024DAD2C3B70, 16 bytes long.
Data: < M,­M > 20 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024DAD2C3DA0, 16 bytes long.
Data: <Pº*­M > 50 BA 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024DAD2ABA50, 40 bytes long.
Data: < =,­M @a ¯M > A0 3D 2C AD 4D 02 00 00 40 61 02 AF 4D 02 00 00
{259} normal block at 0x0000024DAD2C47F0, 16 bytes long.
Data: < M,­M > 00 4D 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024DAD2C4750, 16 bytes long.
Data: <ØL,­M > D8 4C 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024DAD2C08C0, 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 0x0000024DAD2C47A0, 16 bytes long.
Data: <°L,­M > B0 4C 2C AD 4D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024DAD2C4CB0, 992 bytes long.
Data: < G,­M À ,­M > A0 47 2C AD 4D 02 00 00 C0 08 2C AD 4D 02 00 00
{91} normal block at 0x0000024DAD2C0BC0, 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 0x0000024DAD2BD730, 16 bytes long.
Data: < Ú*­M > 80 DA 2A AD 4D 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000024DAD2ADA80, 40 bytes long.
Data: <0×+­M À ,­M > 30 D7 2B AD 4D 02 00 00 C0 0B 2C AD 4D 02 00 00
{68} normal block at 0x0000024DAD2BD690, 16 bytes long.
Data: < ê“Ù÷ > 80 EA 93 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DAD2BD640, 16 bytes long.
Data: <@é“Ù÷ > 40 E9 93 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DAD2BD5A0, 16 bytes long.
Data: <øW Ù÷ > F8 57 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DAD2BDA50, 16 bytes long.
Data: <ØW Ù÷ > D8 57 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DAD2BD910, 16 bytes long.
Data: <P Ù÷ > 50 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DAD2BD870, 16 bytes long.
Data: <0 Ù÷ > 30 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024DAD2BCE20, 16 bytes long.
Data: <à Ù÷ > E0 02 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024DAD2BD320, 16 bytes long.
Data: < Ù÷ > 10 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024DAD2BD820, 16 bytes long.
Data: <p Ù÷ > 70 04 90 D9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024DAD2BD960, 16 bytes long.
Data: < ÀŽÙ÷ > 18 C0 8E D9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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