Task 38619293
| Name | p38_2_A27_A09_r0_4-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND9888_0 |
| Workunit | 31570673 |
| Created | 18 Apr 2026, 20:33:41 UTC |
| Sent | 18 Apr 2026, 20:33:42 UTC |
| Report deadline | 23 Apr 2026, 20:33:42 UTC |
| Received | 19 Apr 2026, 1:43:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643315 |
| Run time | 5 hours 3 min 31 sec |
| CPU time | 4 hours 56 min 58 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 104,762.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.20 MB |
| Peak swap size | 13.26 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:40:33 (144112): wrapper (7.9.26016): starting
22:40:33 (144112): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A09_0.pdb
QB_A27_A09_0.xml
QB_A27_A09.inpcrd
QB_A27_A09_input.yaml
QB_A27_A09.pdb
QB_A27_A09.prmtop
QB_A27_A09_sys.xml
run.bat
run.sh
22:40:35 (144112): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:40:35 (144112): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
'DOSKEY' n'est pas reconnu en tant que commande interne
ou externe, un programme ex‚cutable ou un fichier de commandes.
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
03:43:18 (144112): C:/Windows/system32/cmd.exe exited; CPU time 17818.828125
03:43:18 (144112): 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: 383812711 bytes.
Dumping objects ->
{3835597} normal block at 0x0000017F5EDA9F30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835586} normal block at 0x0000017F5EDA9750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835575} normal block at 0x0000017F5EDA9A60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835564} normal block at 0x0000017F5EDA94B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835553} normal block at 0x0000017F5CE3A540, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835522} normal block at 0x0000017F5ED4F7F0, 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) : {3835509} normal block at 0x0000017F5CE36F30, 8 bytes long.
Data: < ¥^ > 00 00 A5 5E 7F 01 00 00
{3833971} normal block at 0x0000017F5CE36E90, 8 bytes long.
Data: < åå\ > 80 E5 E5 5C 7F 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000017F5CE21560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000017F5CE22A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000017F5CE36D00, 16 bytes long.
Data: <H²ã\ > 48 B2 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000017F5CE36A80, 16 bytes long.
Data: < ²ã\ > 20 B2 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000017F5CE34400, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000017F5CE36DA0, 16 bytes long.
Data: <ø±ã\ > F8 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000017F5CE36C10, 16 bytes long.
Data: <бã\ > D0 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000017F5CE369E0, 16 bytes long.
Data: <¨±ã\ > A8 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017F5CE36940, 16 bytes long.
Data: < ±ã\ > 80 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017F5CE3A4D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000017F5CE377A0, 16 bytes long.
Data: <X‹\ > 58 AC E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017F5CE341C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000017F5CE36BC0, 16 bytes long.
Data: <0‹\ > 30 AC E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017F5CE37160, 16 bytes long.
Data: < ‹\ > 08 AC E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017F5CE36990, 16 bytes long.
Data: <à«ã\ > E0 AB E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017F5CE37110, 16 bytes long.
Data: <¸«ã\ > B8 AB E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017F5CE375C0, 16 bytes long.
Data: < «ã\ > 90 AB E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017F5CE37570, 16 bytes long.
Data: <h«ã\ > 68 AB E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017F5CE34040, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000017F5CE36B70, 16 bytes long.
Data: <@«ã\ > 40 AB E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017F5CE3AB40, 320 bytes long.
Data: <pkã\ @@ã\ > 70 6B E3 5C 7F 01 00 00 40 40 E3 5C 7F 01 00 00
{281} normal block at 0x0000017F5CE37520, 16 bytes long.
Data: <`±ã\ > 60 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017F5CE37430, 16 bytes long.
Data: <8±ã\ > 38 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017F5CE34BE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000017F5CE374D0, 16 bytes long.
Data: < ±ã\ > 10 B1 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017F5CE33FE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000017F5CE37390, 16 bytes long.
Data: <X°ã\ > 58 B0 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017F5CE36A30, 16 bytes long.
Data: <0°ã\ > 30 B0 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017F5CE370C0, 16 bytes long.
Data: < °ã\ > 08 B0 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017F5CE377F0, 16 bytes long.
Data: <à¯ã\ > E0 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017F5CE37610, 16 bytes long.
Data: <¸¯ã\ > B8 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017F5CE37340, 16 bytes long.
Data: < ¯ã\ > 90 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017F5CE36CB0, 16 bytes long.
Data: < ªã\ > 10 AA E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017F5CE3AA10, 40 bytes long.
Data: <°lã\ ð÷Ô^ > B0 6C E3 5C 7F 01 00 00 F0 F7 D4 5E 7F 01 00 00
{267} normal block at 0x0000017F5CE37020, 16 bytes long.
Data: <p¯ã\ > 70 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017F5CE372A0, 16 bytes long.
Data: <H¯ã\ > 48 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017F5CE34AC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000017F5CE37890, 16 bytes long.
Data: < ¯ã\ > 20 AF E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017F5CE3AF20, 992 bytes long.
Data: < xã\ ÀJã\ > 90 78 E3 5C 7F 01 00 00 C0 4A E3 5C 7F 01 00 00
{99} normal block at 0x0000017F5CE34CA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000017F5CE36D50, 16 bytes long.
Data: <°¥ã\ > B0 A5 E3 5C 7F 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000017F5CE3A5B0, 40 bytes long.
Data: <Pmã\  Lã\ > 50 6D E3 5C 7F 01 00 00 A0 4C E3 5C 7F 01 00 00
{76} normal block at 0x0000017F5CE2DE50, 16 bytes long.
Data: < êØœ÷ > 80 EA D8 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000017F5CE2DD10, 16 bytes long.
Data: <@éØœ÷ > 40 E9 D8 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000017F5CE2D900, 16 bytes long.
Data: <øWÕœ÷ > F8 57 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000017F5CE2D8B0, 16 bytes long.
Data: <ØWÕœ÷ > D8 57 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000017F5CE2D860, 16 bytes long.
Data: <P Õœ÷ > 50 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017F5CE2E350, 16 bytes long.
Data: <0 Õœ÷ > 30 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017F5CE2E3A0, 16 bytes long.
Data: <à Õœ÷ > E0 02 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017F5CE2E3F0, 16 bytes long.
Data: < Õœ÷ > 10 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017F5CE2E2B0, 16 bytes long.
Data: <p Õœ÷ > 70 04 D5 9C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017F5CE2DA40, 16 bytes long.
Data: < ÀÓœ÷ > 18 C0 D3 9C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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