Task 38639878
| Name | MCL1_RE_A29_A11_r0_1-QUICO_ATM_GAFF2_NAGL_MCL1_RE-2-6-RND6382_3 |
| Workunit | 31579289 |
| Created | 1 May 2026, 3:04:24 UTC |
| Sent | 1 May 2026, 3:04:28 UTC |
| Report deadline | 6 May 2026, 3:04:28 UTC |
| Received | 1 May 2026, 12:29:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 619891 |
| Run time | 4 hours 3 min 10 sec |
| CPU time | 3 hours 33 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,318.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 509.27 MB |
| Peak swap size | 11.07 GB |
| Peak disk usage | 2.91 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:20:26 (47548): wrapper (7.9.26016): starting
02:20:26 (47548): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A11_0.pdb
QB_A29_A11_0.xml
QB_A29_A11.inpcrd
QB_A29_A11_input.yaml
QB_A29_A11.pdb
QB_A29_A11.prmtop
QB_A29_A11_sys.xml
run.bat
run.sh
02:20:27 (47548): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:20:27 (47548): 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\3\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\3\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
06:29:01 (47548): C:/Windows/system32/cmd.exe exited; CPU time 12828.828125
06:29:01 (47548): 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: 343635399 bytes.
Dumping objects ->
{3835292} normal block at 0x0000024FD8E82AE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835281} normal block at 0x0000024FD8E82C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835270} normal block at 0x0000024FD8E82D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835259} normal block at 0x0000024FD69359E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835248} normal block at 0x0000024FD6935970, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835217} normal block at 0x0000024FD8E80E50, 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) : {3835204} normal block at 0x0000024FD6929AC0, 8 bytes long.
Data: < ¼ÖO > 00 00 BC D6 4F 02 00 00
{3833997} normal block at 0x0000024FD6929CF0, 8 bytes long.
Data: < ÇüØO > A0 C7 FC D8 4F 02 00 00
..\zip\boinc_zip.cpp(122) : {330} normal block at 0x0000024FD6921C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{315} normal block at 0x0000024FD692C520, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{314} normal block at 0x0000024FD6938740, 16 bytes long.
Data: <x•“ÖO > 78 95 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x0000024FD6938A10, 16 bytes long.
Data: <P•“ÖO > 50 95 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x0000024FD6935D30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{311} normal block at 0x0000024FD69387E0, 16 bytes long.
Data: <(•“ÖO > 28 95 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000024FD69386F0, 16 bytes long.
Data: < •“ÖO > 00 95 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x0000024FD6938830, 16 bytes long.
Data: <Ø”“ÖO > D8 94 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000024FD6938150, 16 bytes long.
Data: <°”“ÖO > B0 94 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000024FD6935820, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{306} normal block at 0x0000024FD6938290, 16 bytes long.
Data: <8 ’ÖO > 38 11 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000024FD69365D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{304} normal block at 0x0000024FD6938240, 16 bytes long.
Data: < ’ÖO > 10 11 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000024FD6938E70, 16 bytes long.
Data: <è ’ÖO > E8 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000024FD6938100, 16 bytes long.
Data: <À ’ÖO > C0 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000024FD69380B0, 16 bytes long.
Data: < ’ÖO > 98 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024FD6938880, 16 bytes long.
Data: <p ’ÖO > 70 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024FD6938B00, 16 bytes long.
Data: <H ’ÖO > 48 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024FD6936750, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{296} normal block at 0x0000024FD69384C0, 16 bytes long.
Data: < ’ÖO > 20 10 92 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024FD6921020, 320 bytes long.
Data: <À„“ÖO Pg“ÖO > C0 84 93 D6 4F 02 00 00 50 67 93 D6 4F 02 00 00
{294} normal block at 0x0000024FD6938970, 16 bytes long.
Data: < ”“ÖO > 90 94 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024FD69383D0, 16 bytes long.
Data: <h”“ÖO > 68 94 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024FD6935CD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{291} normal block at 0x0000024FD6938560, 16 bytes long.
Data: <@”“ÖO > 40 94 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024FD6935D90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{289} normal block at 0x0000024FD6938060, 16 bytes long.
Data: < ““ÖO > 88 93 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024FD6938380, 16 bytes long.
Data: <`““ÖO > 60 93 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024FD6938E20, 16 bytes long.
Data: <8““ÖO > 38 93 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024FD6938470, 16 bytes long.
Data: < ““ÖO > 10 93 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024FD69389C0, 16 bytes long.
Data: <è’“ÖO > E8 92 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024FD6938DD0, 16 bytes long.
Data: <À’“ÖO > C0 92 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024FD6938420, 16 bytes long.
Data: <@W“ÖO > 40 57 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024FD6935740, 40 bytes long.
Data: < „“ÖO P èØO > 20 84 93 D6 4F 02 00 00 50 0E E8 D8 4F 02 00 00
{280} normal block at 0x0000024FD6938F60, 16 bytes long.
Data: < ’“ÖO > A0 92 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024FD6938790, 16 bytes long.
Data: <x’“ÖO > 78 92 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024FD6936270, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{277} normal block at 0x0000024FD6938AB0, 16 bytes long.
Data: <P’“ÖO > 50 92 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024FD6939250, 992 bytes long.
Data: <°Š“ÖO pb“ÖO > B0 8A 93 D6 4F 02 00 00 70 62 93 D6 4F 02 00 00
{112} normal block at 0x0000024FD6936330, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{111} normal block at 0x0000024FD6929C50, 16 bytes long.
Data: <°W“ÖO > B0 57 93 D6 4F 02 00 00 00 00 00 00 00 00 00 00
{110} normal block at 0x0000024FD69357B0, 40 bytes long.
Data: <Pœ’ÖO 0c“ÖO > 50 9C 92 D6 4F 02 00 00 30 63 93 D6 4F 02 00 00
{89} normal block at 0x0000024FD6929A70, 16 bytes long.
Data: < ꧉÷ > 80 EA A7 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000024FD6929F70, 16 bytes long.
Data: <@駉÷ > 40 E9 A7 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000024FD6929A20, 16 bytes long.
Data: <øW¤‰÷ > F8 57 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000024FD69299D0, 16 bytes long.
Data: <ØW¤‰÷ > D8 57 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000024FD692A4C0, 16 bytes long.
Data: <P ¤‰÷ > 50 04 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000024FD6929BB0, 16 bytes long.
Data: <0 ¤‰÷ > 30 04 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000024FD692A470, 16 bytes long.
Data: <à ¤‰÷ > E0 02 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000024FD6929930, 16 bytes long.
Data: < ¤‰÷ > 10 04 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000024FD692A6A0, 16 bytes long.
Data: <p ¤‰÷ > 70 04 A4 89 F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000024FD692A0B0, 16 bytes long.
Data: < À¢‰÷ > 18 C0 A2 89 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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