Task 38582334
| Name | PFKFB3_A18_A11_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND7706_0 |
| Workunit | 31546659 |
| Created | 13 Dec 2025, 2:04:23 UTC |
| Sent | 13 Dec 2025, 2:04:26 UTC |
| Report deadline | 18 Dec 2025, 2:04:26 UTC |
| Received | 13 Dec 2025, 17:17:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628228 |
| Run time | 10 hours 0 min 27 sec |
| CPU time | 9 hours 59 min 31 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,339.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 766.87 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:06:52 (11300): wrapper (7.9.26016): starting
10:06:52 (11300): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A11_0.pdb
QB_A18_A11_0.xml
QB_A18_A11_equil.pdb
QB_A18_A11.inpcrd
QB_A18_A11_input.yaml
QB_A18_A11_mdlambda.pdb
QB_A18_A11_min.pdb
QB_A18_A11_npt.pdb
QB_A18_A11.pdb
QB_A18_A11.prmtop
QB_A18_A11_sys.xml
QB_A18_A11_therm.pdb
run.bat
run.sh
10:06:56 (11300): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:06:56 (11300): 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\19\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\19\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.
18:23:57 (9952): wrapper (7.9.26016): starting
18:23:57 (9952): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\19\tmp 㦥 áãé¥áâ¢ã¥â.
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
20:15:27 (9952): C:/Windows/system32/cmd.exe exited; CPU time 6589.218750
20:15:27 (9952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 110236469 bytes.
Dumping objects ->
{3849995} normal block at 0x00000175A6F218A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849984} normal block at 0x00000175A6F21210, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849973} normal block at 0x00000175A6F21EC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3849962} normal block at 0x00000175A6F21C20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849951} normal block at 0x00000175A6F21AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3849920} normal block at 0x00000175A6FCBA80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3849909} normal block at 0x00000175A5437100, 141 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) : {3849906} normal block at 0x00000175A5410220, 8 bytes long.
Data: < 4¥u > 00 00 34 A5 75 01 00 00
{3849255} normal block at 0x00000175A5437AC0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3848634} normal block at 0x00000175A5410590, 8 bytes long.
Data: <à«?¥u > E0 AB 3F A5 75 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000175A5410940, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000175A540BE80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x00000175A5405D70, 16 bytes long.
Data: <Ø A¥u > D8 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000175A5405CD0, 16 bytes long.
Data: <° A¥u > B0 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000175A540C650, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x00000175A5405C30, 16 bytes long.
Data: < A¥u > 88 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000175A5406B30, 16 bytes long.
Data: <` A¥u > 60 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000175A5405C80, 16 bytes long.
Data: <8 A¥u > 38 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000175A5406AE0, 16 bytes long.
Data: < A¥u > 10 1F 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000175A540AFE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x00000175A54068B0, 16 bytes long.
Data: <è\?¥u > E8 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000175A540CF50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x00000175A5406860, 16 bytes long.
Data: <À\?¥u > C0 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000175A54069A0, 16 bytes long.
Data: < \?¥u > 98 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000175A54067C0, 16 bytes long.
Data: <p\?¥u > 70 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000175A5406770, 16 bytes long.
Data: <H\?¥u > 48 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000175A54104F0, 16 bytes long.
Data: < \?¥u > 20 5C 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000175A54100E0, 16 bytes long.
Data: <ø[?¥u > F8 5B 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000175A540C890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x00000175A54104A0, 16 bytes long.
Data: <Ð[?¥u > D0 5B 3F A5 75 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000175A53F5BD0, 320 bytes long.
Data: <  A¥u È@¥u > A0 04 41 A5 75 01 00 00 90 C8 40 A5 75 01 00 00
{271} normal block at 0x00000175A5410090, 16 bytes long.
Data: <ð A¥u > F0 1E 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000175A540FFF0, 16 bytes long.
Data: <È A¥u > C8 1E 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000175A540C1D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x00000175A5410450, 16 bytes long.
Data: <  A¥u > A0 1E 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000175A540CD10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x00000175A54101D0, 16 bytes long.
Data: <è A¥u > E8 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000175A5410400, 16 bytes long.
Data: <À A¥u > C0 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000175A5410040, 16 bytes long.
Data: < A¥u > 98 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000175A540FFA0, 16 bytes long.
Data: <p A¥u > 70 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000175A54103B0, 16 bytes long.
Data: <H A¥u > 48 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000175A5410360, 16 bytes long.
Data: < A¥u > 20 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000175A5410310, 16 bytes long.
Data: < «@¥u > 10 AB 40 A5 75 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000175A540AB10, 40 bytes long.
Data: < A¥u €ºü¦u > 10 03 41 A5 75 01 00 00 80 BA FC A6 75 01 00 00
{257} normal block at 0x00000175A54105E0, 16 bytes long.
Data: < A¥u > 00 1D 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000175A54102C0, 16 bytes long.
Data: <Ø A¥u > D8 1C 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000175A540C6B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x00000175A540FF50, 16 bytes long.
Data: <° A¥u > B0 1C 41 A5 75 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000175A5411CB0, 992 bytes long.
Data: <Pÿ@¥u °Æ@¥u > 50 FF 40 A5 75 01 00 00 B0 C6 40 A5 75 01 00 00
{89} normal block at 0x00000175A540C710, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x00000175A5406270, 16 bytes long.
Data: <ð«@¥u > F0 AB 40 A5 75 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000175A540ABF0, 40 bytes long.
Data: <pb@¥u Ç@¥u > 70 62 40 A5 75 01 00 00 10 C7 40 A5 75 01 00 00
{66} normal block at 0x00000175A5405FF0, 16 bytes long.
Data: <€êÁ¿÷ > 80 EA C1 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000175A5406900, 16 bytes long.
Data: <@éÁ¿÷ > 40 E9 C1 BF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000175A5406220, 16 bytes long.
Data: <øW¾¿÷ > F8 57 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000175A5405FA0, 16 bytes long.
Data: <ØW¾¿÷ > D8 57 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000175A5405F50, 16 bytes long.
Data: <P ¾¿÷ > 50 04 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000175A5405E60, 16 bytes long.
Data: <0 ¾¿÷ > 30 04 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000175A5405E10, 16 bytes long.
Data: <à ¾¿÷ > E0 02 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000175A5406630, 16 bytes long.
Data: < ¾¿÷ > 10 04 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000175A5406450, 16 bytes long.
Data: <p ¾¿÷ > 70 04 BE BF F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000175A5406360, 16 bytes long.
Data: < À¼¿÷ > 18 C0 BC BF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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