Task 38596365
| Name | TYK2_A10_A05_r0_1-QUICO_ATM_GAFF2_NAGL_TYK2-1-5-RND8786_2 |
| Workunit | 31552336 |
| Created | 7 Apr 2026, 16:14:23 UTC |
| Sent | 7 Apr 2026, 16:14:24 UTC |
| Report deadline | 12 Apr 2026, 16:14:24 UTC |
| Received | 7 Apr 2026, 22:54:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651346 |
| Run time | 6 hours 31 min 9 sec |
| CPU time | 6 hours 10 min 3 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 | 658.19 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:15:27 (8592): wrapper (7.9.26016): starting
11:15:27 (8592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A05_0.pdb
QB_A10_A05_0.xml
QB_A10_A05.inpcrd
QB_A10_A05_input.yaml
QB_A10_A05.pdb
QB_A10_A05.prmtop
QB_A10_A05_sys.xml
run.bat
run.sh
11:15:28 (8592): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:15:28 (8592): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
17:45:59 (8592): C:/Windows/system32/cmd.exe exited; CPU time 22203.125000
17:45:59 (8592): 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: 278747413 bytes.
Dumping objects ->
{3835568} normal block at 0x000001BCA91831A0, 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 0x000001BCA9182CD0, 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 0x000001BCA9182FE0, 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 0x000001BCA9182F70, 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 0x000001BCA9183210, 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 0x000001BCAAE39E40, 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 0x000001BCA91A9FD0, 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 0x000001BCA917D0A0, 8 bytes long.
Data: < ¼ª¼ > 00 00 BC AA BC 01 00 00
{3834703} normal block at 0x000001BCA916DC60, 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 0x000001BCA917D690, 8 bytes long.
Data: < Õ ©¼ > 00 D5 16 A9 BC 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BCA9171430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BCA9172520, 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 0x000001BCA9183940, 16 bytes long.
Data: <ØO ©¼ > D8 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BCA9183B70, 16 bytes long.
Data: <°O ©¼ > B0 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BCA91808C0, 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 0x000001BCA91838F0, 16 bytes long.
Data: < O ©¼ > 88 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BCA9184660, 16 bytes long.
Data: <`O ©¼ > 60 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BCA9184840, 16 bytes long.
Data: <8O ©¼ > 38 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BCA9184610, 16 bytes long.
Data: < O ©¼ > 10 4F 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BCA916C470, 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 0x000001BCA91845C0, 16 bytes long.
Data: <Xð ©¼ > 58 F0 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BCA9181280, 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 0x000001BCA91844D0, 16 bytes long.
Data: <0ð ©¼ > 30 F0 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BCA9184430, 16 bytes long.
Data: < ð ©¼ > 08 F0 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BCA9184160, 16 bytes long.
Data: <àï ©¼ > E0 EF 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BCA91847A0, 16 bytes long.
Data: <¸ï ©¼ > B8 EF 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BCA9183F30, 16 bytes long.
Data: < ï ©¼ > 90 EF 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BCA9184110, 16 bytes long.
Data: <hï ©¼ > 68 EF 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BCA9180800, 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 0x000001BCA9183DA0, 16 bytes long.
Data: <@ï ©¼ > 40 EF 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BCA916EF40, 320 bytes long.
Data: < = ©¼ ©¼ > A0 3D 18 A9 BC 01 00 00 00 08 18 A9 BC 01 00 00
{273} normal block at 0x000001BCA91842F0, 16 bytes long.
Data: <ðN ©¼ > F0 4E 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BCA9183DF0, 16 bytes long.
Data: <ÈN ©¼ > C8 4E 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BCA91806E0, 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 0x000001BCA9184250, 16 bytes long.
Data: < N ©¼ > A0 4E 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BCA9180560, 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 0x000001BCA91841B0, 16 bytes long.
Data: <èM ©¼ > E8 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BCA9184200, 16 bytes long.
Data: <ÀM ©¼ > C0 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BCA9184750, 16 bytes long.
Data: < M ©¼ > 98 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BCA9183990, 16 bytes long.
Data: <pM ©¼ > 70 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BCA9184570, 16 bytes long.
Data: <HM ©¼ > 48 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BCA91840C0, 16 bytes long.
Data: < M ©¼ > 20 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BCA91843E0, 16 bytes long.
Data: < á ©¼ > 20 E1 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BCA916E120, 40 bytes long.
Data: <àC ©¼ @žãª¼ > E0 43 18 A9 BC 01 00 00 40 9E E3 AA BC 01 00 00
{259} normal block at 0x000001BCA9184520, 16 bytes long.
Data: < M ©¼ > 00 4D 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BCA9183C60, 16 bytes long.
Data: <ØL ©¼ > D8 4C 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001BCA91811C0, 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 0x000001BCA91847F0, 16 bytes long.
Data: <°L ©¼ > B0 4C 18 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BCA9184CB0, 992 bytes long.
Data: <ðG ©¼ À ©¼ > F0 47 18 A9 BC 01 00 00 C0 11 18 A9 BC 01 00 00
{91} normal block at 0x000001BCA9180620, 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 0x000001BCA917D730, 16 bytes long.
Data: < ® ©¼ > 80 AE 16 A9 BC 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001BCA916AE80, 40 bytes long.
Data: <0× ©¼ ©¼ > 30 D7 17 A9 BC 01 00 00 20 06 18 A9 BC 01 00 00
{68} normal block at 0x000001BCA917D5A0, 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 0x000001BCA917CF10, 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 0x000001BCA917D050, 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 0x000001BCA917D4B0, 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 0x000001BCA917D7D0, 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 0x000001BCA917DC80, 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 0x000001BCA917CEC0, 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 0x000001BCA917D000, 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 0x000001BCA917D640, 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 0x000001BCA917D6E0, 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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