Task 38611914
| Name | p38_A08_A06_r0_5-QUICO_ATM_OpenFF_p38-2-6-RND2207_1 |
| Workunit | 31564115 |
| Created | 16 Apr 2026, 0:55:12 UTC |
| Sent | 16 Apr 2026, 0:55:17 UTC |
| Report deadline | 21 Apr 2026, 0:55:17 UTC |
| Received | 17 Apr 2026, 0:09:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630817 |
| Run time | 5 hours 56 min 44 sec |
| CPU time | 5 hours 56 min 44 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,450.96 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.86 MB |
| Peak swap size | 24.91 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:39:05 (7208): wrapper (7.9.26016): starting
21:39:05 (7208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A06_0.pdb
QB_A08_A06_0.xml
QB_A08_A06.inpcrd
QB_A08_A06_input.yaml
QB_A08_A06.pdb
QB_A08_A06.prmtop
QB_A08_A06_sys.xml
run.bat
run.sh
21:39:09 (7208): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:39:09 (7208): 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\23\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\23\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
03:08:45 (7208): C:/Windows/system32/cmd.exe exited; CPU time 21404.937500
03:08:45 (7208): 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: 271612915 bytes.
Dumping objects ->
{3835311} normal block at 0x0000026D5DC00920, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x0000026D5DC00FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x0000026D5DC00ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835278} normal block at 0x0000026D5DC01250, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x0000026D5DC00CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835236} normal block at 0x0000026D5DCF3D30, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x0000026D5DD52FD0, 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) : {3835222} normal block at 0x0000026D5BDAAEE0, 8 bytes long.
Data: < Ô[m > 00 00 D4 5B 6D 02 00 00
{3834576} normal block at 0x0000026D5DD53570, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x0000026D5BDAB110, 8 bytes long.
Data: <Ð8Ø]m > D0 38 D8 5D 6D 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000026D5BDB3EB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026D5BD9AE90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x0000026D5BDB5350, 16 bytes long.
Data: <è`Û[m > E8 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026D5BDB5760, 16 bytes long.
Data: <À`Û[m > C0 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026D5BDB0BA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x0000026D5BDB56C0, 16 bytes long.
Data: < `Û[m > 98 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026D5BDB4E00, 16 bytes long.
Data: <p`Û[m > 70 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026D5BDB55D0, 16 bytes long.
Data: <H`Û[m > 48 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026D5BDB5210, 16 bytes long.
Data: < `Û[m > 20 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026D5BDAF3F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x0000026D5BDB5A30, 16 bytes long.
Data: <è Û[m > E8 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026D5BDB0C60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x0000026D5BDB5030, 16 bytes long.
Data: <À Û[m > C0 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026D5BDB4E50, 16 bytes long.
Data: < Û[m > 98 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026D5BDB5CB0, 16 bytes long.
Data: <p Û[m > 70 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026D5BDB4FE0, 16 bytes long.
Data: <H Û[m > 48 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026D5BDB5710, 16 bytes long.
Data: < Û[m > 20 00 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026D5BDB5580, 16 bytes long.
Data: <øÿÚ[m > F8 FF DA 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026D5BDB0D20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x0000026D5BDB53A0, 16 bytes long.
Data: <ÐÿÚ[m > D0 FF DA 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026D5BDAFFD0, 320 bytes long.
Data: < SÛ[m Û[m > A0 53 DB 5B 6D 02 00 00 20 0D DB 5B 6D 02 00 00
{267} normal block at 0x0000026D5BDB51C0, 16 bytes long.
Data: < `Û[m > 00 60 DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026D5BDB54E0, 16 bytes long.
Data: <Ø_Û[m > D8 5F DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026D5BDB0E40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x0000026D5BDB4F40, 16 bytes long.
Data: <°_Û[m > B0 5F DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026D5BDB0FC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x0000026D5BDB4F90, 16 bytes long.
Data: <ø^Û[m > F8 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026D5BDB5C60, 16 bytes long.
Data: <Ð^Û[m > D0 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026D5BDB58F0, 16 bytes long.
Data: <¨^Û[m > A8 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026D5BDB5850, 16 bytes long.
Data: <€^Û[m > 80 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026D5BDB5C10, 16 bytes long.
Data: <X^Û[m > 58 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026D5BDB5080, 16 bytes long.
Data: <0^Û[m > 30 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026D5BDB5260, 16 bytes long.
Data: < òÚ[m > A0 F2 DA 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000026D5BDAF2A0, 40 bytes long.
Data: <`RÛ[m 0=Ï]m > 60 52 DB 5B 6D 02 00 00 30 3D CF 5D 6D 02 00 00
{253} normal block at 0x0000026D5BDB4EF0, 16 bytes long.
Data: < ^Û[m > 10 5E DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026D5BDB53F0, 16 bytes long.
Data: <è]Û[m > E8 5D DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000026D5BDB0C00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x0000026D5BDB5B20, 16 bytes long.
Data: <À]Û[m > C0 5D DB 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000026D5BDB5DC0, 992 bytes long.
Data: < [Û[m Û[m > 20 5B DB 5B 6D 02 00 00 00 0C DB 5B 6D 02 00 00
{85} normal block at 0x0000026D5BDB0900, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x0000026D5BDAABC0, 16 bytes long.
Data: <€óÚ[m > 80 F3 DA 5B 6D 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000026D5BDAF380, 40 bytes long.
Data: <À«Ú[m Û[m > C0 AB DA 5B 6D 02 00 00 00 09 DB 5B 6D 02 00 00
{62} normal block at 0x0000026D5BDAA530, 16 bytes long.
Data: <€êp/ö > 80 EA 70 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026D5BDAAE90, 16 bytes long.
Data: <@ép/ö > 40 E9 70 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026D5BDAAB70, 16 bytes long.
Data: <øWm/ö > F8 57 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026D5BDAA760, 16 bytes long.
Data: <ØWm/ö > D8 57 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026D5BDAA940, 16 bytes long.
Data: <P m/ö > 50 04 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026D5BDAA3F0, 16 bytes long.
Data: <0 m/ö > 30 04 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026D5BDAB070, 16 bytes long.
Data: <à m/ö > E0 02 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000026D5BDAA4E0, 16 bytes long.
Data: < m/ö > 10 04 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000026D5BDAB020, 16 bytes long.
Data: <p m/ö > 70 04 6D 2F F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000026D5BDAAAD0, 16 bytes long.
Data: < Àk/ö > 18 C0 6B 2F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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