Task 38643819
| Name | cdk8_A31_A32_r0_4-QUICO_ATM_GAFF2_NAGL_cdk8-5-6-RND2619_1 |
| Workunit | 31589819 |
| Created | 7 May 2026, 19:57:36 UTC |
| Sent | 7 May 2026, 19:57:39 UTC |
| Report deadline | 12 May 2026, 19:57:39 UTC |
| Received | 9 May 2026, 4:23:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644191 |
| Run time | 10 hours 24 min 19 sec |
| CPU time | 10 hours 21 min 3 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,721.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 855.66 MB |
| Peak swap size | 4.03 GB |
| Peak disk usage | 3.93 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:59:34 (6740): wrapper (7.9.26016): starting
19:59:34 (6740): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A31_A32_0.pdb
QB_A31_A32_0.xml
QB_A31_A32.inpcrd
QB_A31_A32_input.yaml
QB_A31_A32.pdb
QB_A31_A32.prmtop
QB_A31_A32_sys.xml
run.bat
run.sh
19:59:36 (6740): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:59:36 (6740): 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
06:22:55 (6740): C:/Windows/system32/cmd.exe exited; CPU time 37263.359375
06:22:55 (6740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 526033147 bytes.
Dumping objects ->
{3835298} normal block at 0x000002068ADA6710, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835287} normal block at 0x000002068ADA66A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x000002068ADA6630, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835265} normal block at 0x000002068ADA6C50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835254} normal block at 0x000002068ADA6BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835223} normal block at 0x000002068CA98620, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000002068C8EEEB0, 235 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) : {3835209} normal block at 0x000002068AD9DA80, 8 bytes long.
Data: < ÕŠ > 00 00 D5 8A 06 02 00 00
{3834587} normal block at 0x000002068ADA61C0, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000002068AD9DD50, 8 bytes long.
Data: < ÛØŠ > 20 DB D8 8A 06 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002068AD91190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002068AD92480, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002068ADA77A0, 16 bytes long.
Data: <( ÚŠ > 28 81 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002068ADA7750, 16 bytes long.
Data: < ÚŠ > 00 81 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002068AD9FBD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002068ADA7430, 16 bytes long.
Data: <Ø ÚŠ > D8 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002068ADA7C00, 16 bytes long.
Data: <° ÚŠ > B0 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002068ADA7D40, 16 bytes long.
Data: < ÚŠ > 88 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002068ADA6E40, 16 bytes long.
Data: <` ÚŠ > 60 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002068ADA6780, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002068ADA79D0, 16 bytes long.
Data: <xöØŠ > 78 F6 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002068AD9F8D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002068ADA7700, 16 bytes long.
Data: <PöØŠ > 50 F6 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002068ADA7200, 16 bytes long.
Data: <(öØŠ > 28 F6 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002068ADA76B0, 16 bytes long.
Data: < öØŠ > 00 F6 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002068ADA7070, 16 bytes long.
Data: <ØõØŠ > D8 F5 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002068ADA6F80, 16 bytes long.
Data: <°õØŠ > B0 F5 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002068ADA78E0, 16 bytes long.
Data: < õØŠ > 88 F5 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002068ADA00B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002068ADA7D90, 16 bytes long.
Data: <`õØŠ > 60 F5 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002068AD8F560, 320 bytes long.
Data: < }ÚŠ ° ÚŠ > 90 7D DA 8A 06 02 00 00 B0 00 DA 8A 06 02 00 00
{275} normal block at 0x000002068ADA73E0, 16 bytes long.
Data: <@ ÚŠ > 40 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002068ADA7BB0, 16 bytes long.
Data: < ÚŠ > 18 80 DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002068ADA02F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002068ADA7480, 16 bytes long.
Data: <ð ÚŠ > F0 7F DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002068AD9F990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002068ADA7390, 16 bytes long.
Data: <8 ÚŠ > 38 7F DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002068ADA7B10, 16 bytes long.
Data: < ÚŠ > 10 7F DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002068ADA7660, 16 bytes long.
Data: <è~ÚŠ > E8 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002068ADA7610, 16 bytes long.
Data: <À~ÚŠ > C0 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002068ADA7980, 16 bytes long.
Data: < ~ÚŠ > 98 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002068ADA7570, 16 bytes long.
Data: <p~ÚŠ > 70 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002068ADA7890, 16 bytes long.
Data: < jÚŠ > 90 6A DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002068ADA6A90, 40 bytes long.
Data: < xÚŠ †©Œ > 90 78 DA 8A 06 02 00 00 20 86 A9 8C 06 02 00 00
{261} normal block at 0x000002068ADA6FD0, 16 bytes long.
Data: <P~ÚŠ > 50 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002068ADA7A70, 16 bytes long.
Data: <(~ÚŠ > 28 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002068ADA0770, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002068ADA72F0, 16 bytes long.
Data: < ~ÚŠ > 00 7E DA 8A 06 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002068ADA7E00, 992 bytes long.
Data: <ðrÚŠ p ÚŠ > F0 72 DA 8A 06 02 00 00 70 07 DA 8A 06 02 00 00
{93} normal block at 0x000002068AD9FED0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002068AD9DA30, 16 bytes long.
Data: <ðÖØŠ > F0 D6 D8 8A 06 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002068AD8D6F0, 40 bytes long.
Data: <0ÚÙŠ ÐþÙŠ > 30 DA D9 8A 06 02 00 00 D0 FE D9 8A 06 02 00 00
{70} normal block at 0x000002068AD9E020, 16 bytes long.
Data: < ê2l÷ > 80 EA 32 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002068AD9E110, 16 bytes long.
Data: <@é2l÷ > 40 E9 32 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002068AD9DE90, 16 bytes long.
Data: <øW/l÷ > F8 57 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002068AD9DE40, 16 bytes long.
Data: <ØW/l÷ > D8 57 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002068AD9DD00, 16 bytes long.
Data: <P /l÷ > 50 04 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002068AD9E200, 16 bytes long.
Data: <0 /l÷ > 30 04 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002068AD9E1B0, 16 bytes long.
Data: <à /l÷ > E0 02 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002068AD9D9E0, 16 bytes long.
Data: < /l÷ > 10 04 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002068AD9DDF0, 16 bytes long.
Data: <p /l÷ > 70 04 2F 6C F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002068AD9D580, 16 bytes long.
Data: < À-l÷ > 18 C0 2D 6C F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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