Task 38612478
| Name | p38_A25_A08_r0_4-QUICO_ATM_OpenFF_p38-4-6-RND3226_0 |
| Workunit | 31565085 |
| Created | 16 Apr 2026, 7:46:37 UTC |
| Sent | 16 Apr 2026, 7:46:40 UTC |
| Report deadline | 21 Apr 2026, 7:46:40 UTC |
| Received | 16 Apr 2026, 20:52:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649650 |
| Run time | 7 hours 14 min 26 sec |
| CPU time | 6 hours 28 min 38 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,154.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.25 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:16:27 (13348): wrapper (7.9.26016): starting
08:16:27 (13348): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A08_0.pdb
QB_A25_A08_0.xml
QB_A25_A08.inpcrd
QB_A25_A08_input.yaml
QB_A25_A08.pdb
QB_A25_A08.prmtop
QB_A25_A08_sys.xml
run.bat
run.sh
08:16:29 (13348): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:16:29 (13348): 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\1\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\1\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
15:30:14 (13348): C:/Windows/system32/cmd.exe exited; CPU time 23318.171875
15:30:14 (13348): 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: 321501415 bytes.
Dumping objects ->
{3835566} normal block at 0x0000016D3EB13F80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x0000016D3EB13AB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x0000016D3EB13B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835533} normal block at 0x0000016D3EB140D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835522} normal block at 0x0000016D3EB13E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835491} normal block at 0x0000016D409146C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x0000016D3EAFB730, 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) : {3835477} normal block at 0x0000016D3EB0D340, 8 bytes long.
Data: < ®>m > 00 00 AE 3E 6D 01 00 00
{3834701} normal block at 0x0000016D3EAFB860, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x0000016D3EB0CDF0, 8 bytes long.
Data: <°Ô¯>m > B0 D4 AF 3E 6D 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000016D3EB00780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016D3EB022B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000016D3EB14F40, 16 bytes long.
Data: <¸]±>m > B8 5D B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016D3EB15490, 16 bytes long.
Data: < ]±>m > 90 5D B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016D3EB11230, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000016D3EB148B0, 16 bytes long.
Data: <h]±>m > 68 5D B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016D3EB15260, 16 bytes long.
Data: <@]±>m > 40 5D B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016D3EB14D60, 16 bytes long.
Data: < ]±>m > 18 5D B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016D3EB14D10, 16 bytes long.
Data: <ð\±>m > F0 5C B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016D3EAFF080, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000016D3EB153A0, 16 bytes long.
Data: < ð¯>m > 18 F0 AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016D3EB11110, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000016D3EB14C70, 16 bytes long.
Data: <ðï¯>m > F0 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016D3EB15620, 16 bytes long.
Data: <Èï¯>m > C8 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016D3EB14C20, 16 bytes long.
Data: < ï¯>m > A0 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016D3EB14EA0, 16 bytes long.
Data: <xï¯>m > 78 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016D3EB14E50, 16 bytes long.
Data: <Pï¯>m > 50 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016D3EB14B30, 16 bytes long.
Data: <(ï¯>m > 28 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016D3EB10FF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000016D3EB15210, 16 bytes long.
Data: < ï¯>m > 00 EF AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016D3EAFEF00, 320 bytes long.
Data: < R±>m ð ±>m > 10 52 B1 3E 6D 01 00 00 F0 0F B1 3E 6D 01 00 00
{272} normal block at 0x0000016D3EB155D0, 16 bytes long.
Data: <Ð\±>m > D0 5C B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016D3EB15530, 16 bytes long.
Data: <¨\±>m > A8 5C B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016D3EB104B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000016D3EB14CC0, 16 bytes long.
Data: < \±>m > 80 5C B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016D3EB10F90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000016D3EB146D0, 16 bytes long.
Data: <È[±>m > C8 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016D3EB14BD0, 16 bytes long.
Data: < [±>m > A0 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016D3EB153F0, 16 bytes long.
Data: <x[±>m > 78 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000016D3EB14FE0, 16 bytes long.
Data: <P[±>m > 50 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016D3EB15170, 16 bytes long.
Data: <([±>m > 28 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016D3EB150D0, 16 bytes long.
Data: < [±>m > 00 5B B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016D3EB147C0, 16 bytes long.
Data: < ì¯>m > 20 EC AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016D3EAFEC20, 40 bytes long.
Data: <ÀG±>m ÀF‘@m > C0 47 B1 3E 6D 01 00 00 C0 46 91 40 6D 01 00 00
{258} normal block at 0x0000016D3EB152B0, 16 bytes long.
Data: <àZ±>m > E0 5A B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016D3EB154E0, 16 bytes long.
Data: <¸Z±>m > B8 5A B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016D3EB10870, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000016D3EB15440, 16 bytes long.
Data: < Z±>m > 90 5A B1 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016D3EB15A90, 992 bytes long.
Data: <@T±>m p ±>m > 40 54 B1 3E 6D 01 00 00 70 08 B1 3E 6D 01 00 00
{90} normal block at 0x0000016D3EB106F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000016D3EB0D750, 16 bytes long.
Data: <°Ã¯>m > B0 C3 AF 3E 6D 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000016D3EAFC3B0, 40 bytes long.
Data: <P×°>m ð ±>m > 50 D7 B0 3E 6D 01 00 00 F0 06 B1 3E 6D 01 00 00
{67} normal block at 0x0000016D3EB0D660, 16 bytes long.
Data: < ê ñ÷ > 80 EA 10 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016D3EB0D610, 16 bytes long.
Data: <@é ñ÷ > 40 E9 10 F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016D3EB0CF80, 16 bytes long.
Data: <øW ñ÷ > F8 57 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016D3EB0D0C0, 16 bytes long.
Data: <ØW ñ÷ > D8 57 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016D3EB0DD40, 16 bytes long.
Data: <P ñ÷ > 50 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016D3EB0D8E0, 16 bytes long.
Data: <0 ñ÷ > 30 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016D3EB0D480, 16 bytes long.
Data: <à ñ÷ > E0 02 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016D3EB0CE90, 16 bytes long.
Data: < ñ÷ > 10 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016D3EB0CFD0, 16 bytes long.
Data: <p ñ÷ > 70 04 0D F1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016D3EB0D2F0, 16 bytes long.
Data: < À ñ÷ > 18 C0 0B F1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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