Task 38611732
| Name | tnks2_A07_A09_r0_2-QUICO_ATM_GAFF2_NAGL_TNKS2-5-6-RND8428_0 |
| Workunit | 31564425 |
| Created | 15 Apr 2026, 22:48:52 UTC |
| Sent | 15 Apr 2026, 22:48:58 UTC |
| Report deadline | 20 Apr 2026, 22:48:58 UTC |
| Received | 16 Apr 2026, 3:19:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649996 |
| Run time | 4 hours 25 min 48 sec |
| CPU time | 4 hours 25 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,744.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 587.50 MB |
| Peak swap size | 24.70 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:05:45 (3632): wrapper (7.9.26016): starting
01:05:45 (3632): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A09_0.pdb
QB_A07_A09_0.xml
QB_A07_A09.inpcrd
QB_A07_A09_input.yaml
QB_A07_A09.pdb
QB_A07_A09.prmtop
QB_A07_A09_sys.xml
run.bat
run.sh
01:05:46 (3632): Library/usr/bin/tar.exe exited; CPU time 3.015625
01:05:46 (3632): 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\41\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\41\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
05:24:14 (3632): C:/Windows/system32/cmd.exe exited; CPU time 15945.546875
05:24:14 (3632): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 270115782 bytes.
Dumping objects ->
{3835226} normal block at 0x000001E61209B2B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835215} normal block at 0x000001E6101823E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001E6101824C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835193} normal block at 0x000001E610182370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001E610182300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835151} normal block at 0x000001E61203A9B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835140} normal block at 0x000001E612099A10, 85 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) : {3835137} normal block at 0x000001E61017BFB0, 8 bytes long.
Data: < × æ > 00 00 D7 11 E6 01 00 00
{3834532} normal block at 0x000001E6120990B0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x000001E61017C6E0, 8 bytes long.
Data: <`= æ > 60 3D 00 12 E6 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E61017B500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E610175990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001E610182BD0, 16 bytes long.
Data: <(= æ > 28 3D 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E610183530, 16 bytes long.
Data: < = æ > 00 3D 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E6101814F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001E6101834E0, 16 bytes long.
Data: <Ø< æ > D8 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E610183490, 16 bytes long.
Data: <°< æ > B0 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E610182F90, 16 bytes long.
Data: < < æ > 88 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E610183990, 16 bytes long.
Data: <`< æ > 60 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E610182060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001E610183620, 16 bytes long.
Data: <¸ä æ > B8 E4 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E610181850, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001E610182D10, 16 bytes long.
Data: < ä æ > 90 E4 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E6101832B0, 16 bytes long.
Data: <hä æ > 68 E4 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E610183710, 16 bytes long.
Data: <@ä æ > 40 E4 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E610183940, 16 bytes long.
Data: < ä æ > 18 E4 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E6101835D0, 16 bytes long.
Data: <ðã æ > F0 E3 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E610183760, 16 bytes long.
Data: <Èã æ > C8 E3 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E610180F50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001E610183300, 16 bytes long.
Data: < ã æ > A0 E3 16 10 E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E61016E3A0, 320 bytes long.
Data: < 3 æ P æ > 00 33 18 10 E6 01 00 00 50 0F 18 10 E6 01 00 00
{270} normal block at 0x000001E610182E50, 16 bytes long.
Data: <@< æ > 40 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E610182D60, 16 bytes long.
Data: < < æ > 18 3C 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E610181310, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001E6101831C0, 16 bytes long.
Data: <ð; æ > F0 3B 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E610181010, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001E610182A40, 16 bytes long.
Data: <8; æ > 38 3B 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E610183260, 16 bytes long.
Data: < ; æ > 10 3B 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E610182EA0, 16 bytes long.
Data: <è: æ > E8 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E6101830D0, 16 bytes long.
Data: <À: æ > C0 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E6101837B0, 16 bytes long.
Data: < : æ > 98 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E610183030, 16 bytes long.
Data: <p: æ > 70 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E610183440, 16 bytes long.
Data: < æ > 10 1F 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E610181F10, 40 bytes long.
Data: <@4 æ °© æ > 40 34 18 10 E6 01 00 00 B0 A9 03 12 E6 01 00 00
{256} normal block at 0x000001E6101833F0, 16 bytes long.
Data: <P: æ > 50 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E6101833A0, 16 bytes long.
Data: <(: æ > 28 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E610180FB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001E6101838F0, 16 bytes long.
Data: < : æ > 00 3A 18 10 E6 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001E610183A00, 992 bytes long.
Data: <ð8 æ ° æ > F0 38 18 10 E6 01 00 00 B0 0F 18 10 E6 01 00 00
{88} normal block at 0x000001E6101817F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001E61017C870, 16 bytes long.
Data: < » æ > 80 BB 17 10 E6 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001E61017BB80, 40 bytes long.
Data: <pÈ æ ð æ > 70 C8 17 10 E6 01 00 00 F0 17 18 10 E6 01 00 00
{65} normal block at 0x000001E61017BE70, 16 bytes long.
Data: < ê6 ö > 80 EA 36 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E61017CB40, 16 bytes long.
Data: <@é6 ö > 40 E9 36 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E61017C820, 16 bytes long.
Data: <øW3 ö > F8 57 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E61017C460, 16 bytes long.
Data: <ØW3 ö > D8 57 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E61017C5F0, 16 bytes long.
Data: <P 3 ö > 50 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E61017C5A0, 16 bytes long.
Data: <0 3 ö > 30 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E61017C9B0, 16 bytes long.
Data: <à 3 ö > E0 02 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E61017BD80, 16 bytes long.
Data: < 3 ö > 10 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E61017C0A0, 16 bytes long.
Data: <p 3 ö > 70 04 33 0F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E61017C320, 16 bytes long.
Data: < À1 ö > 18 C0 31 0F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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