Task 38636546
| Name | p38_3_A14_A20_r0_1-QUICO_ATM_OpenFF_NAGL_p38_3-3-6-RND8307_0 |
| Workunit | 31584776 |
| Created | 29 Apr 2026, 7:08:42 UTC |
| Sent | 29 Apr 2026, 7:09:07 UTC |
| Report deadline | 4 May 2026, 7:09:07 UTC |
| Received | 1 May 2026, 0:17:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575758 |
| Run time | 21 hours 50 min 57 sec |
| CPU time | 19 hours 15 min 15 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,070.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 482.88 MB |
| Peak swap size | 5.27 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:57:21 (77324): wrapper (7.9.26016): starting
02:57:21 (77324): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
run.bat
run.sh
02:57:26 (77324): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:57:26 (77324): 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\10\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\10\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
02:14:58 (77324): C:/Windows/system32/cmd.exe exited; CPU time 69315.421875
02:14:58 (77324): 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: 1711976467 bytes.
Dumping objects ->
{3835453} normal block at 0x000002A98A619B90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835442} normal block at 0x000002A98A619B20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835431} normal block at 0x000002A98A619DC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835420} normal block at 0x000002A98A619490, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000002A98A618EE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835378} normal block at 0x000002A98C2E49A0, 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) : {3835365} normal block at 0x000002A98A5ED760, 8 bytes long.
Data: < \Š© > 00 00 5C 8A A9 02 00 00
{3833975} normal block at 0x000002A98A5ED710, 8 bytes long.
Data: <0Ý]Š© > 30 DD 5D 8A A9 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002A98A5E1520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002A98A5E2610, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000002A98A5F6750, 16 bytes long.
Data: < m_Š© > 18 6D 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002A98A5F60C0, 16 bytes long.
Data: <ðl_Š© > F0 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002A98A5F0150, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000002A98A5F6700, 16 bytes long.
Data: <Èl_Š© > C8 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A98A5F6070, 16 bytes long.
Data: < l_Š© > A0 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A98A5F66B0, 16 bytes long.
Data: <xl_Š© > 78 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002A98A5F5B20, 16 bytes long.
Data: <Pl_Š© > 50 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A98A5F1650, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000002A98A5F6390, 16 bytes long.
Data: <X ^Š© > 58 03 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A98A5EFD90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000002A98A5F6020, 16 bytes long.
Data: <0 ^Š© > 30 03 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A98A5F62A0, 16 bytes long.
Data: < ^Š© > 08 03 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A98A5F6980, 16 bytes long.
Data: <à ^Š© > E0 02 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A98A5F6890, 16 bytes long.
Data: <¸ ^Š© > B8 02 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A98A5F6660, 16 bytes long.
Data: < ^Š© > 90 02 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A98A5F5FD0, 16 bytes long.
Data: <h ^Š© > 68 02 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A98A5EF8B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000002A98A5F67A0, 16 bytes long.
Data: <@ ^Š© > 40 02 5E 8A A9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A98A5E0240, 320 bytes long.
Data: < g_Š© °ø^Š© > A0 67 5F 8A A9 02 00 00 B0 F8 5E 8A A9 02 00 00
{283} normal block at 0x000002A98A5F64D0, 16 bytes long.
Data: <0l_Š© > 30 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A98A5F5EE0, 16 bytes long.
Data: < l_Š© > 08 6C 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A98A5EF970, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000002A98A5F5DF0, 16 bytes long.
Data: <àk_Š© > E0 6B 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A98A5F0570, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000002A98A5F6430, 16 bytes long.
Data: <(k_Š© > 28 6B 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A98A5F5DA0, 16 bytes long.
Data: < k_Š© > 00 6B 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A98A5F5D00, 16 bytes long.
Data: <Øj_Š© > D8 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A98A5F6610, 16 bytes long.
Data: <°j_Š© > B0 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A98A5F6480, 16 bytes long.
Data: < j_Š© > 88 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A98A5F6570, 16 bytes long.
Data: <`j_Š© > 60 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A98A5F5CB0, 16 bytes long.
Data: < _Š© > 80 18 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A98A5F1880, 40 bytes long.
Data: <°\_Š©  I.Œ© > B0 5C 5F 8A A9 02 00 00 A0 49 2E 8C A9 02 00 00
{269} normal block at 0x000002A98A5F5F80, 16 bytes long.
Data: <@j_Š© > 40 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A98A5F6200, 16 bytes long.
Data: < j_Š© > 18 6A 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A98A5F0510, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000002A98A5F5C60, 16 bytes long.
Data: <ði_Š© > F0 69 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A98A5F69F0, 992 bytes long.
Data: <`\_Š© _Š© > 60 5C 5F 8A A9 02 00 00 10 05 5F 8A A9 02 00 00
{101} normal block at 0x000002A98A5EFBB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000002A98A5ED530, 16 bytes long.
Data: <  _Š© > A0 17 5F 8A A9 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000002A98A5F17A0, 40 bytes long.
Data: <0Õ^Š© °û^Š© > 30 D5 5E 8A A9 02 00 00 B0 FB 5E 8A A9 02 00 00
{78} normal block at 0x000002A98A5EDA80, 16 bytes long.
Data: < êlž÷ > 80 EA 6C 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002A98A5EDF30, 16 bytes long.
Data: <@élž÷ > 40 E9 6C 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002A98A5ED4E0, 16 bytes long.
Data: <øWiž÷ > F8 57 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002A98A5EDEE0, 16 bytes long.
Data: <ØWiž÷ > D8 57 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002A98A5EE070, 16 bytes long.
Data: <P iž÷ > 50 04 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A98A5EE200, 16 bytes long.
Data: <0 iž÷ > 30 04 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A98A5ED670, 16 bytes long.
Data: <à iž÷ > E0 02 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A98A5EDC10, 16 bytes long.
Data: < iž÷ > 10 04 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A98A5EE2A0, 16 bytes long.
Data: <p iž÷ > 70 04 69 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A98A5ED620, 16 bytes long.
Data: < Àgž÷ > 18 C0 67 9E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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