Task 38615251
| Name | HIF2A_2_A39_A17_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND9276_0 |
| Workunit | 31567553 |
| Created | 17 Apr 2026, 16:47:52 UTC |
| Sent | 17 Apr 2026, 16:51:54 UTC |
| Report deadline | 22 Apr 2026, 16:51:54 UTC |
| Received | 17 Apr 2026, 21:18:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641350 |
| Run time | 2 hours 34 min 55 sec |
| CPU time | 2 hours 29 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 19,414.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.80 MB |
| Peak swap size | 4.99 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:44:20 (18944): wrapper (7.9.26016): starting
20:44:20 (18944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A17_0.pdb
QB_A39_A17_0.xml
QB_A39_A17.inpcrd
QB_A39_A17_input.yaml
QB_A39_A17.pdb
QB_A39_A17.prmtop
QB_A39_A17_sys.xml
run.bat
run.sh
20:44:21 (18944): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:44:21 (18944): 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\0\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\0\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
23:18:12 (18944): C:/Windows/system32/cmd.exe exited; CPU time 8954.187500
23:18:12 (18944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 133100097 bytes.
Dumping objects ->
{3835242} normal block at 0x00000189FF259FE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x00000189FE995E20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x00000189FE995DB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835209} normal block at 0x00000189FE9958E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x00000189FE995D40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835167} normal block at 0x00000189FF266690, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835156} normal block at 0x00000189FF27FA00, 102 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) : {3835153} normal block at 0x00000189FE98E340, 8 bytes long.
Data: < •þ‰ > 00 00 95 FE 89 01 00 00
{3834547} normal block at 0x00000189FF27FE20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x00000189FE98D940, 8 bytes long.
Data: <°O,ÿ‰ > B0 4F 2C FF 89 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000189FE981160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000189FE981F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000189FE996D30, 16 bytes long.
Data: < v þ‰ > 18 76 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000189FE996470, 16 bytes long.
Data: <ðu þ‰ > F0 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000189FE9902A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000189FE996380, 16 bytes long.
Data: <Èu þ‰ > C8 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000189FE996FB0, 16 bytes long.
Data: < u þ‰ > A0 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000189FE996B50, 16 bytes long.
Data: <xu þ‰ > 78 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000189FE996790, 16 bytes long.
Data: <Pu þ‰ > 50 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000189FE995CD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000189FE9966A0, 16 bytes long.
Data: <¨ þ‰ > A8 0D 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000189FE9904E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000189FE996AB0, 16 bytes long.
Data: < þ‰ > 80 0D 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000189FE996F60, 16 bytes long.
Data: <X þ‰ > 58 0D 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000189FE996650, 16 bytes long.
Data: <0 þ‰ > 30 0D 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000189FE996F10, 16 bytes long.
Data: < þ‰ > 08 0D 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000189FE996A60, 16 bytes long.
Data: <à þ‰ > E0 0C 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000189FE996E20, 16 bytes long.
Data: <¸ þ‰ > B8 0C 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000189FE990360, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000189FE996600, 16 bytes long.
Data: < þ‰ > 90 0C 98 FE 89 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000189FE980C90, 320 bytes long.
Data: < f þ‰ ` þ‰ > 00 66 99 FE 89 01 00 00 60 03 99 FE 89 01 00 00
{277} normal block at 0x00000189FE996510, 16 bytes long.
Data: <0u þ‰ > 30 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000189FE996420, 16 bytes long.
Data: < u þ‰ > 08 75 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000189FE990240, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000189FE996740, 16 bytes long.
Data: <àt þ‰ > E0 74 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000189FE98FD00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000189FE9966F0, 16 bytes long.
Data: <(t þ‰ > 28 74 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000189FE997050, 16 bytes long.
Data: < t þ‰ > 00 74 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000189FE996EC0, 16 bytes long.
Data: <Øs þ‰ > D8 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000189FE9969C0, 16 bytes long.
Data: <°s þ‰ > B0 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000189FE996DD0, 16 bytes long.
Data: < s þ‰ > 88 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000189FE996330, 16 bytes long.
Data: <`s þ‰ > 60 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000189FE996830, 16 bytes long.
Data: <PY þ‰ > 50 59 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000189FE995950, 40 bytes long.
Data: <0h þ‰ f&ÿ‰ > 30 68 99 FE 89 01 00 00 90 66 26 FF 89 01 00 00
{263} normal block at 0x00000189FE9971E0, 16 bytes long.
Data: <@s þ‰ > 40 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000189FE996D80, 16 bytes long.
Data: < s þ‰ > 18 73 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000189FE9901E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000189FE996C90, 16 bytes long.
Data: <ðr þ‰ > F0 72 99 FE 89 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000189FE9972F0, 992 bytes long.
Data: < l þ‰ à þ‰ > 90 6C 99 FE 89 01 00 00 E0 01 99 FE 89 01 00 00
{95} normal block at 0x00000189FE990AE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000189FE98E480, 16 bytes long.
Data: <pÞ—þ‰ > 70 DE 97 FE 89 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000189FE97DE70, 40 bytes long.
Data: < ä þ‰ à þ‰ > 80 E4 98 FE 89 01 00 00 E0 0A 99 FE 89 01 00 00
{72} normal block at 0x00000189FE98DC60, 16 bytes long.
Data: < êéG÷ > 80 EA E9 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000189FE98E110, 16 bytes long.
Data: <@ééG÷ > 40 E9 E9 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000189FE98D990, 16 bytes long.
Data: <øWæG÷ > F8 57 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000189FE98E7F0, 16 bytes long.
Data: <ØWæG÷ > D8 57 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000189FE98DC10, 16 bytes long.
Data: <P æG÷ > 50 04 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000189FE98E430, 16 bytes long.
Data: <0 æG÷ > 30 04 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000189FE98DA80, 16 bytes long.
Data: <à æG÷ > E0 02 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000189FE98DBC0, 16 bytes long.
Data: < æG÷ > 10 04 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000189FE98E2A0, 16 bytes long.
Data: <p æG÷ > 70 04 E6 47 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000189FE98DE90, 16 bytes long.
Data: < ÀäG÷ > 18 C0 E4 47 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra