Task 38634076
| Name | JNK1_RE_A18_A12_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1_RE-3-6-RND2645_0 |
| Workunit | 31582708 |
| Created | 27 Apr 2026, 17:23:59 UTC |
| Sent | 27 Apr 2026, 17:24:07 UTC |
| Report deadline | 2 May 2026, 17:24:07 UTC |
| Received | 28 Apr 2026, 22:46:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651976 |
| Run time | 5 hours 6 min 33 sec |
| CPU time | 4 hours 53 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 50,494.97 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 706.07 MB |
| Peak swap size | 13.06 GB |
| Peak disk usage | 3.09 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
18:52:40 (47260): wrapper (7.9.26016): starting
18:52:40 (47260): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A12_0.pdb
QB_A18_A12_0.xml
QB_A18_A12.inpcrd
QB_A18_A12_input.yaml
QB_A18_A12.pdb
QB_A18_A12.prmtop
QB_A18_A12_sys.xml
run.bat
run.sh
18:52:41 (47260): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:52:41 (47260): 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\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:\Boinc\004\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
00:45:51 (47260): C:/Windows/system32/cmd.exe exited; CPU time 17598.171875
00:45:51 (47260): 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: 677427159 bytes.
Dumping objects ->
{3835645} normal block at 0x000001E62B134E80, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835634} normal block at 0x000001E62CF003B0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835623} normal block at 0x000001E62CEFFB70, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835612} normal block at 0x000001E62CEFF750, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835601} normal block at 0x000001E62CEFF9F0, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835570} normal block at 0x000001E62B134E10, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835559} normal block at 0x000001E62B199E60, 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) : {3835556} normal block at 0x000001E62B12DE30, 8 bytes long.
Data: < +æ > 00 00 0F 2B E6 01 00 00
{3834731} normal block at 0x000001E62B199BF0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001E62B12DAC0, 8 bytes long.
Data: <p× +æ > 70 D7 11 2B E6 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E62B120A20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E62B121D70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001E62B135390, 16 bytes long.
Data: <xf +æ > 78 66 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E62B135DE0, 16 bytes long.
Data: <Pf +æ > 50 66 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E62B131400, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001E62B135570, 16 bytes long.
Data: <(f +æ > 28 66 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E62B136060, 16 bytes long.
Data: < f +æ > 00 66 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E62B135D90, 16 bytes long.
Data: <Øe +æ > D8 65 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E62B135CA0, 16 bytes long.
Data: <°e +æ > B0 65 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E62B1348D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001E62B1357F0, 16 bytes long.
Data: <Èò +æ > C8 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E62B131100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001E62B135CF0, 16 bytes long.
Data: < ò +æ > A0 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E62B135C00, 16 bytes long.
Data: <xò +æ > 78 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E62B1358E0, 16 bytes long.
Data: <Pò +æ > 50 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E62B135480, 16 bytes long.
Data: <(ò +æ > 28 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E62B135D40, 16 bytes long.
Data: < ò +æ > 00 F2 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E62B135430, 16 bytes long.
Data: <Øñ +æ > D8 F1 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E62B130A40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001E62B135BB0, 16 bytes long.
Data: <°ñ +æ > B0 F1 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E62B11F1B0, 320 bytes long.
Data: <°[ +æ @ +æ > B0 5B 13 2B E6 01 00 00 40 0A 13 2B E6 01 00 00
{279} normal block at 0x000001E62B135B60, 16 bytes long.
Data: < e +æ > 90 65 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E62B135C50, 16 bytes long.
Data: <he +æ > 68 65 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E62B131040, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001E62B136240, 16 bytes long.
Data: <@e +æ > 40 65 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E62B1315E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001E62B1357A0, 16 bytes long.
Data: < d +æ > 88 64 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E62B135A20, 16 bytes long.
Data: <`d +æ > 60 64 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E62B135B10, 16 bytes long.
Data: <8d +æ > 38 64 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E62B135750, 16 bytes long.
Data: < d +æ > 10 64 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E62B1361F0, 16 bytes long.
Data: <èc +æ > E8 63 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E62B135AC0, 16 bytes long.
Data: <Àc +æ > C0 63 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E62B1355C0, 16 bytes long.
Data: < J +æ > 20 4A 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E62B134A20, 40 bytes long.
Data: <ÀU +æ N +æ > C0 55 13 2B E6 01 00 00 10 4E 13 2B E6 01 00 00
{265} normal block at 0x000001E62B135A70, 16 bytes long.
Data: < c +æ > A0 63 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E62B135980, 16 bytes long.
Data: <xc +æ > 78 63 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E62B131520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001E62B1361A0, 16 bytes long.
Data: <Pc +æ > 50 63 13 2B E6 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E62B136350, 992 bytes long.
Data: < a +æ +æ > A0 61 13 2B E6 01 00 00 20 15 13 2B E6 01 00 00
{97} normal block at 0x000001E62B1310A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001E62B12D200, 16 bytes long.
Data: <`å +æ > 60 E5 11 2B E6 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001E62B11E560, 40 bytes long.
Data: < Ò +æ   +æ > 00 D2 12 2B E6 01 00 00 A0 10 13 2B E6 01 00 00
{74} normal block at 0x000001E62B12DB60, 16 bytes long.
Data: < êdÞö > 80 EA 64 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E62B12D2F0, 16 bytes long.
Data: <@édÞö > 40 E9 64 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E62B12D7A0, 16 bytes long.
Data: <øWaÞö > F8 57 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E62B12D110, 16 bytes long.
Data: <ØWaÞö > D8 57 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E62B12DDE0, 16 bytes long.
Data: <P aÞö > 50 04 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E62B12D430, 16 bytes long.
Data: <0 aÞö > 30 04 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E62B12D340, 16 bytes long.
Data: <à aÞö > E0 02 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E62B12D070, 16 bytes long.
Data: < aÞö > 10 04 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E62B12D8E0, 16 bytes long.
Data: <p aÞö > 70 04 61 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E62B12D020, 16 bytes long.
Data: < À_Þö > 18 C0 5F DE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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