Task 38611912
| Name | p38_A24_A11_r0_4-QUICO_ATM_OpenFF_p38-1-6-RND4996_1 |
| Workunit | 31562865 |
| Created | 16 Apr 2026, 0:53:02 UTC |
| Sent | 16 Apr 2026, 0:53:07 UTC |
| Report deadline | 21 Apr 2026, 0:53:07 UTC |
| Received | 16 Apr 2026, 7:03:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641869 |
| Run time | 6 hours 9 min 35 sec |
| CPU time | 5 hours 15 min 53 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,973.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.45 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:54:56 (41072): wrapper (7.9.26016): starting
19:54:56 (41072): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A11_0.pdb
QB_A24_A11_0.xml
QB_A24_A11.inpcrd
QB_A24_A11_input.yaml
QB_A24_A11.pdb
QB_A24_A11.prmtop
QB_A24_A11_sys.xml
run.bat
run.sh
19:54:58 (41072): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:54:58 (41072): 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\9\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\9\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
02:02:53 (41072): C:/Windows/system32/cmd.exe exited; CPU time 18953.234375
02:02:53 (41072): 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: 478337711 bytes.
Dumping objects ->
{3835242} normal block at 0x0000020A4DAFB980, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000020A4DAFADB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x0000020A4DAFAD40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x0000020A4DAD5CF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x0000020A4DAD60E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x0000020A4F816610, 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) : {3835154} normal block at 0x0000020A4DACE7E0, 8 bytes long.
Data: < UO > 00 00 55 4F 0A 02 00 00
{3833961} normal block at 0x0000020A4DACE1A0, 8 bytes long.
Data: < Ý«M > A0 DD AB 4D 0A 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020A4DAC1B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020A4DAC2280, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000020A4DAD73F0, 16 bytes long.
Data: <¸y­M > B8 79 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020A4DAD6F40, 16 bytes long.
Data: < y­M > 90 79 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020A4DAD0BE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000020A4DAD6F90, 16 bytes long.
Data: <hy­M > 68 79 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020A4DAD6DB0, 16 bytes long.
Data: <@y­M > 40 79 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020A4DAD7490, 16 bytes long.
Data: < y­M > 18 79 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020A4DAD68B0, 16 bytes long.
Data: <ðx­M > F0 78 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020A4DAD5C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000020A4DAD6B80, 16 bytes long.
Data: <Ø ¬M > D8 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020A4DAD0C40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000020A4DAD72B0, 16 bytes long.
Data: <° ¬M > B0 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020A4DAD67C0, 16 bytes long.
Data: < ¬M > 88 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020A4DAD6D60, 16 bytes long.
Data: <` ¬M > 60 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020A4DAD7530, 16 bytes long.
Data: <8 ¬M > 38 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020A4DAD6AE0, 16 bytes long.
Data: < ¬M > 10 0D AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020A4DAD6770, 16 bytes long.
Data: <è ¬M > E8 0C AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020A4DAD10C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000020A4DAD74E0, 16 bytes long.
Data: <À ¬M > C0 0C AC 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020A4DAC0CC0, 320 bytes long.
Data: <àt­M À ­M > E0 74 AD 4D 0A 02 00 00 C0 10 AD 4D 0A 02 00 00
{276} normal block at 0x0000020A4DAD6D10, 16 bytes long.
Data: <Ðx­M > D0 78 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020A4DAD6CC0, 16 bytes long.
Data: <¨x­M > A8 78 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020A4DAD0E20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000020A4DAD6720, 16 bytes long.
Data: < x­M > 80 78 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020A4DAD0A00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000020A4DAD7170, 16 bytes long.
Data: <Èw­M > C8 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020A4DAD6C70, 16 bytes long.
Data: < w­M > A0 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020A4DAD6810, 16 bytes long.
Data: <xw­M > 78 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020A4DAD66D0, 16 bytes long.
Data: <Pw­M > 50 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020A4DAD7620, 16 bytes long.
Data: <(w­M > 28 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020A4DAD7580, 16 bytes long.
Data: < w­M > 00 77 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020A4DAD7210, 16 bytes long.
Data: < `­M > 00 60 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020A4DAD6000, 40 bytes long.
Data: < r­M f O > 10 72 AD 4D 0A 02 00 00 10 66 81 4F 0A 02 00 00
{262} normal block at 0x0000020A4DAD6860, 16 bytes long.
Data: <àv­M > E0 76 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020A4DAD75D0, 16 bytes long.
Data: <¸v­M > B8 76 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020A4DAD0880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000020A4DAD6E50, 16 bytes long.
Data: < v­M > 90 76 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020A4DAD7690, 992 bytes long.
Data: <Pn­M ­M > 50 6E AD 4D 0A 02 00 00 80 08 AD 4D 0A 02 00 00
{94} normal block at 0x0000020A4DAD11E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000020A4DACDD90, 16 bytes long.
Data: <Pa­M > 50 61 AD 4D 0A 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000020A4DAD6150, 40 bytes long.
Data: < ݬM à ­M > 90 DD AC 4D 0A 02 00 00 E0 11 AD 4D 0A 02 00 00
{71} normal block at 0x0000020A4DACE380, 16 bytes long.
Data: < ê’Šö > 80 EA 92 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020A4DACDB10, 16 bytes long.
Data: <@é’Šö > 40 E9 92 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020A4DACE010, 16 bytes long.
Data: <øW Šö > F8 57 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020A4DACE880, 16 bytes long.
Data: <ØW Šö > D8 57 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020A4DACE830, 16 bytes long.
Data: <P Šö > 50 04 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020A4DACDFC0, 16 bytes long.
Data: <0 Šö > 30 04 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020A4DACE330, 16 bytes long.
Data: <à Šö > E0 02 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020A4DACE2E0, 16 bytes long.
Data: < Šö > 10 04 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020A4DACE290, 16 bytes long.
Data: <p Šö > 70 04 8F 8A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020A4DACE0B0, 16 bytes long.
Data: < À Šö > 18 C0 8D 8A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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