Task 38604969
| Name | MCL1_A35_A06_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-0-6-RND0405_3 |
| Workunit | 31553145 |
| Created | 13 Apr 2026, 8:50:28 UTC |
| Sent | 13 Apr 2026, 8:50:29 UTC |
| Report deadline | 18 Apr 2026, 8:50:29 UTC |
| Received | 13 Apr 2026, 12:18:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651977 |
| Run time | 3 hours 22 min 59 sec |
| CPU time | 2 hours 53 min 1 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 84,050.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 494.81 MB |
| Peak swap size | 12.82 GB |
| Peak disk usage | 3.70 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:51:28 (38976): wrapper (7.9.26016): starting
10:51:28 (38976): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A35_A06_0.pdb
QB_A35_A06_0.xml
QB_A35_A06.inpcrd
QB_A35_A06_input.yaml
QB_A35_A06.pdb
QB_A35_A06.prmtop
QB_A35_A06_sys.xml
run.bat
run.sh
10:51:30 (38976): Library/usr/bin/tar.exe exited; CPU time 0.046875
10:51:30 (38976): 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:\BOINC\004\slots\2\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:\BOINC\004\slots\2\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
14:18:30 (38976): C:/Windows/system32/cmd.exe exited; CPU time 10381.765625
14:18:30 (38976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 342505705 bytes.
Dumping objects ->
{3835245} normal block at 0x0000027B9AC461D0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835234} normal block at 0x0000027B9C9705D0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835223} normal block at 0x0000027B9C96F1F0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835212} normal block at 0x0000027B9C96FCD0, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835201} normal block at 0x0000027B9C96EE90, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835170} normal block at 0x0000027B9AC46010, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835159} normal block at 0x0000027B9AC8DE00, 140 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) : {3835156} normal block at 0x0000027B9AC3DA80, 8 bytes long.
Data: < ºš{ > 00 00 BA 9A 7B 02 00 00
{3834543} normal block at 0x0000027B9AC8E7C0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x0000027B9AC3D210, 8 bytes long.
Data: < Õš{ > 20 D5 C2 9A 7B 02 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000027B9AC31090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027B9AC31E80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x0000027B9AC450B0, 16 bytes long.
Data: <è]Äš{ > E8 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027B9AC44FC0, 16 bytes long.
Data: <À]Äš{ > C0 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027B9AC40F00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x0000027B9AC45100, 16 bytes long.
Data: < ]Äš{ > 98 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027B9AC44F20, 16 bytes long.
Data: <p]Äš{ > 70 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027B9AC44AC0, 16 bytes long.
Data: <H]Äš{ > 48 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027B9AC455B0, 16 bytes long.
Data: < ]Äš{ > 20 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027B9AC45FA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x0000027B9AC44A20, 16 bytes long.
Data: <xðš{ > 78 F0 C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027B9AC406C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x0000027B9AC451F0, 16 bytes long.
Data: <Pðš{ > 50 F0 C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027B9AC44C50, 16 bytes long.
Data: <(ðš{ > 28 F0 C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027B9AC45560, 16 bytes long.
Data: < ðš{ > 00 F0 C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027B9AC44CA0, 16 bytes long.
Data: <Øïš{ > D8 EF C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027B9AC45010, 16 bytes long.
Data: <°ïš{ > B0 EF C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027B9AC44930, 16 bytes long.
Data: < ïš{ > 88 EF C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027B9AC40900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x0000027B9AC44BB0, 16 bytes long.
Data: <`ïš{ > 60 EF C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027B9AC2EF60, 320 bytes long.
Data: <°KÄš{ Äš{ > B0 4B C4 9A 7B 02 00 00 00 09 C4 9A 7B 02 00 00
{266} normal block at 0x0000027B9AC45510, 16 bytes long.
Data: < ]Äš{ > 00 5D C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027B9AC44A70, 16 bytes long.
Data: <Ø\Äš{ > D8 5C C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027B9AC40960, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x0000027B9AC44ED0, 16 bytes long.
Data: <°\Äš{ > B0 5C C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027B9AC411A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x0000027B9AC454C0, 16 bytes long.
Data: <ø[Äš{ > F8 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027B9AC44E80, 16 bytes long.
Data: <Ð[Äš{ > D0 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027B9AC44750, 16 bytes long.
Data: <¨[Äš{ > A8 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027B9AC44CF0, 16 bytes long.
Data: < [Äš{ > 80 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027B9AC45420, 16 bytes long.
Data: <X[Äš{ > 58 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027B9AC44980, 16 bytes long.
Data: <0[Äš{ > 30 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000027B9AC44F70, 16 bytes long.
Data: <ðК{ > F0 D0 C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027B9AC2D0F0, 40 bytes long.
Data: <pOÄš{ `Äš{ > 70 4F C4 9A 7B 02 00 00 10 60 C4 9A 7B 02 00 00
{252} normal block at 0x0000027B9AC448E0, 16 bytes long.
Data: < [Äš{ > 10 5B C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000027B9AC44700, 16 bytes long.
Data: <èZÄš{ > E8 5A C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000027B9AC40D20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x0000027B9AC44890, 16 bytes long.
Data: <ÀZÄš{ > C0 5A C4 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x0000027B9AC45AC0, 992 bytes long.
Data: < HÄš{ Äš{ > 90 48 C4 9A 7B 02 00 00 20 0D C4 9A 7B 02 00 00
{84} normal block at 0x0000027B9AC407E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x0000027B9AC3CDB0, 16 bytes long.
Data: <ðëš{ > F0 EB C2 9A 7B 02 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000027B9AC2EBF0, 40 bytes long.
Data: <°ÍÚ{ à Äš{ > B0 CD C3 9A 7B 02 00 00 E0 07 C4 9A 7B 02 00 00
{61} normal block at 0x0000027B9AC3D760, 16 bytes long.
Data: < ê1;ö > 80 EA 31 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027B9AC3D1C0, 16 bytes long.
Data: <@é1;ö > 40 E9 31 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027B9AC3D7B0, 16 bytes long.
Data: <øW.;ö > F8 57 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027B9AC3DBC0, 16 bytes long.
Data: <ØW.;ö > D8 57 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027B9AC3D940, 16 bytes long.
Data: <P .;ö > 50 04 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000027B9AC3D710, 16 bytes long.
Data: <0 .;ö > 30 04 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000027B9AC3D5D0, 16 bytes long.
Data: <à .;ö > E0 02 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000027B9AC3D3F0, 16 bytes long.
Data: < .;ö > 10 04 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000027B9AC3CF40, 16 bytes long.
Data: <p .;ö > 70 04 2E 3B F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000027B9AC3CD60, 16 bytes long.
Data: < À,;ö > 18 C0 2C 3B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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