Task 38604585
| Name | JNK1_A02_A11_r0_3-QUICO_ATM_GAFF2_NAGL_JNK1-3-6-RND7700_1 |
| Workunit | 31558674 |
| Created | 12 Apr 2026, 10:32:27 UTC |
| Sent | 12 Apr 2026, 10:32:31 UTC |
| Report deadline | 17 Apr 2026, 10:32:31 UTC |
| Received | 12 Apr 2026, 14:42:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644265 |
| Run time | 4 hours 4 min 12 sec |
| CPU time | 3 hours 57 min 13 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,073.96 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 641.39 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.07 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:33:36 (20628): wrapper (7.9.26016): starting
06:33:36 (20628): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A11_0.pdb
QB_A02_A11_0.xml
QB_A02_A11.inpcrd
QB_A02_A11_input.yaml
QB_A02_A11.pdb
QB_A02_A11.prmtop
QB_A02_A11_sys.xml
run.bat
run.sh
06:33:37 (20628): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:33:37 (20628): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
10:37:12 (20628): C:/Windows/system32/cmd.exe exited; CPU time 14233.015625
10:37:12 (20628): 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: 281505937 bytes.
Dumping objects ->
{3835593} normal block at 0x000001BA6A2DD690, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835582} normal block at 0x000001BA6A2DCE40, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835571} normal block at 0x000001BA6A2DCEB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835560} normal block at 0x000001BA6A2DD770, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835549} normal block at 0x000001BA6A2DD850, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835518} normal block at 0x000001BA6BF179E0, 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) : {3835505} normal block at 0x000001BA6A2AC830, 8 bytes long.
Data: < #jº > 00 00 23 6A BA 01 00 00
{3833967} normal block at 0x000001BA6A2ACBF0, 8 bytes long.
Data: <pçÞkº > 70 E7 DE 6B BA 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001BA6A2A5D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001BA6A2A4B50, 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 0x000001BA6A2B9BC0, 16 bytes long.
Data: <x¬+jº > 78 AC 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001BA6A2BA660, 16 bytes long.
Data: <P¬+jº > 50 AC 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BA6A2B3B70, 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 0x000001BA6A2BA520, 16 bytes long.
Data: <(¬+jº > 28 AC 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BA6A2BA430, 16 bytes long.
Data: < ¬+jº > 00 AC 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BA6A2BA3E0, 16 bytes long.
Data: <Ø«+jº > D8 AB 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BA6A2BA6B0, 16 bytes long.
Data: <°«+jº > B0 AB 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BA6A2B5790, 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 0x000001BA6A2B9B70, 16 bytes long.
Data: <(o*jº > 28 6F 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BA6A2B3990, 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 0x000001BA6A2B9D00, 16 bytes long.
Data: < o*jº > 00 6F 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BA6A2BA390, 16 bytes long.
Data: <Øn*jº > D8 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BA6A2BA4D0, 16 bytes long.
Data: <°n*jº > B0 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BA6A2BA160, 16 bytes long.
Data: < n*jº > 88 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BA6A2BA610, 16 bytes long.
Data: <`n*jº > 60 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA6A2BA340, 16 bytes long.
Data: <8n*jº > 38 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA6A2B3870, 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 0x000001BA6A2BA840, 16 bytes long.
Data: < n*jº > 10 6E 2A 6A BA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BA6A2A6E10, 320 bytes long.
Data: <@¨+jº p8+jº > 40 A8 2B 6A BA 01 00 00 70 38 2B 6A BA 01 00 00
{279} normal block at 0x000001BA6A2BA2F0, 16 bytes long.
Data: < «+jº > 90 AB 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BA6A2B9EE0, 16 bytes long.
Data: <h«+jº > 68 AB 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BA6A2B3930, 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 0x000001BA6A2BA2A0, 16 bytes long.
Data: <@«+jº > 40 AB 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BA6A2B3D50, 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 0x000001BA6A2BA200, 16 bytes long.
Data: < ª+jº > 88 AA 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BA6A2BA1B0, 16 bytes long.
Data: <`ª+jº > 60 AA 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BA6A2BA110, 16 bytes long.
Data: <8ª+jº > 38 AA 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BA6A2BA070, 16 bytes long.
Data: < ª+jº > 10 AA 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BA6A2BA570, 16 bytes long.
Data: <è©+jº > E8 A9 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA6A2B9B20, 16 bytes long.
Data: <À©+jº > C0 A9 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA6A2BA020, 16 bytes long.
Data: < W+jº > 20 57 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA6A2B5720, 40 bytes long.
Data: <  +jº àyñkº > 20 A0 2B 6A BA 01 00 00 E0 79 F1 6B BA 01 00 00
{265} normal block at 0x000001BA6A2BA750, 16 bytes long.
Data: < ©+jº > A0 A9 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BA6A2B9E40, 16 bytes long.
Data: <x©+jº > 78 A9 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BA6A2B3CF0, 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 0x000001BA6A2BA7F0, 16 bytes long.
Data: <P©+jº > 50 A9 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BA6A2BA950, 992 bytes long.
Data: <ð§+jº ð<+jº > F0 A7 2B 6A BA 01 00 00 F0 3C 2B 6A BA 01 00 00
{97} normal block at 0x000001BA6A2B4590, 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 0x000001BA6A2AD550, 16 bytes long.
Data: <ðT+jº > F0 54 2B 6A BA 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001BA6A2B54F0, 40 bytes long.
Data: <PÕ*jº E+jº > 50 D5 2A 6A BA 01 00 00 90 45 2B 6A BA 01 00 00
{74} normal block at 0x000001BA6A2AD000, 16 bytes long.
Data: < ê.çö > 80 EA 2E E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001BA6A2ACB50, 16 bytes long.
Data: <@é.çö > 40 E9 2E E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001BA6A2AC7E0, 16 bytes long.
Data: <øW+çö > F8 57 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001BA6A2AD730, 16 bytes long.
Data: <ØW+çö > D8 57 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BA6A2AD500, 16 bytes long.
Data: <P +çö > 50 04 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BA6A2ACBA0, 16 bytes long.
Data: <0 +çö > 30 04 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BA6A2AD690, 16 bytes long.
Data: <à +çö > E0 02 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BA6A2ACB00, 16 bytes long.
Data: < +çö > 10 04 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BA6A2AC880, 16 bytes long.
Data: <p +çö > 70 04 2B E7 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BA6A2ACC40, 16 bytes long.
Data: < À)çö > 18 C0 29 E7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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