Task 38582442
| Name | JNK1_A10_A05_r2_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-1-5-RND2254_0 |
| Workunit | 31546755 |
| Created | 13 Dec 2025, 4:49:11 UTC |
| Sent | 13 Dec 2025, 4:49:14 UTC |
| Report deadline | 18 Dec 2025, 4:49:14 UTC |
| Received | 13 Dec 2025, 15:13:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 545155 |
| Run time | 5 hours 41 min 58 sec |
| CPU time | 5 hours 36 min 46 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,316.12 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 639.99 MB |
| Peak swap size | 3.78 GB |
| Peak disk usage | 3.56 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
01:06:34 (189784): wrapper (7.9.26016): starting
01:06:34 (189784): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A05_0.pdb
QB_A10_A05_0.xml
QB_A10_A05_equil.pdb
QB_A10_A05.inpcrd
QB_A10_A05_input.yaml
QB_A10_A05_mdlambda.pdb
QB_A10_A05_min.pdb
QB_A10_A05_npt.pdb
QB_A10_A05_out_merged_nowater.pdb
QB_A10_A05.pdb
QB_A10_A05.prmtop
QB_A10_A05_sys.xml
QB_A10_A05_therm.pdb
run.bat
run.sh
01:06:49 (189784): Library/usr/bin/tar.exe exited; CPU time 0.109375
01:06:49 (189784): 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
06:48:53 (189784): C:/Windows/system32/cmd.exe exited; CPU time 20205.968750
06:48:53 (189784): 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: 253933437 bytes.
Dumping objects ->
{3835355} normal block at 0x00000241BCC37E80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835344} normal block at 0x00000241BCC38430, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835333} normal block at 0x00000241BCC38890, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835322} normal block at 0x00000241BCC382E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835311} normal block at 0x00000241BCC38740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835280} normal block at 0x00000241BCC39A60, 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) : {3835267} normal block at 0x00000241BCC07400, 8 bytes long.
Data: < p¾A > 00 00 70 BE 41 02 00 00
{3833975} normal block at 0x00000241BCC07B30, 8 bytes long.
Data: <p¿Æ¼A > 70 BF C6 BC 41 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000241BCC10FF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000241BCC15160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x00000241BCC12DA0, 16 bytes long.
Data: <xJÁ¼A > 78 4A C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000241BCC12710, 16 bytes long.
Data: <PJÁ¼A > 50 4A C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000241BCC0C930, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x00000241BCC128F0, 16 bytes long.
Data: <(JÁ¼A > 28 4A C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000241BCC126C0, 16 bytes long.
Data: < JÁ¼A > 00 4A C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000241BCC125D0, 16 bytes long.
Data: <ØIÁ¼A > D8 49 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000241BCC12D50, 16 bytes long.
Data: <°IÁ¼A > B0 49 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000241BCC0E190, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x00000241BCC12580, 16 bytes long.
Data: < 1Á¼A > 08 31 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000241BCC0CB70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x00000241BCC128A0, 16 bytes long.
Data: <à0Á¼A > E0 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000241BCC12B20, 16 bytes long.
Data: <¸0Á¼A > B8 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000241BCC127B0, 16 bytes long.
Data: < 0Á¼A > 90 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000241BCC12490, 16 bytes long.
Data: <h0Á¼A > 68 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000241BCC12120, 16 bytes long.
Data: <@0Á¼A > 40 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000241BCC12CB0, 16 bytes long.
Data: < 0Á¼A > 18 30 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000241BCC0C8D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x00000241BCC12530, 16 bytes long.
Data: <ð/Á¼A > F0 2F C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000241BCC12FF0, 320 bytes long.
Data: <0%Á¼A ÐÈÀ¼A > 30 25 C1 BC 41 02 00 00 D0 C8 C0 BC 41 02 00 00
{283} normal block at 0x00000241BCC12440, 16 bytes long.
Data: < IÁ¼A > 90 49 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000241BCC12A80, 16 bytes long.
Data: <hIÁ¼A > 68 49 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000241BCC0C030, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x00000241BCC120D0, 16 bytes long.
Data: <@IÁ¼A > 40 49 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000241BCC0C810, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x00000241BCC12260, 16 bytes long.
Data: < HÁ¼A > 88 48 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000241BCC12350, 16 bytes long.
Data: <`HÁ¼A > 60 48 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000241BCC12E90, 16 bytes long.
Data: <8HÁ¼A > 38 48 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000241BCC12C60, 16 bytes long.
Data: < HÁ¼A > 10 48 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000241BCC12BC0, 16 bytes long.
Data: <èGÁ¼A > E8 47 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000241BCC12990, 16 bytes long.
Data: <ÀGÁ¼A > C0 47 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000241BCC12300, 16 bytes long.
Data: <ÀãÀ¼A > C0 E3 C0 BC 41 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000241BCC0E3C0, 40 bytes long.
Data: < #Á¼A `šÃ¼A > 00 23 C1 BC 41 02 00 00 60 9A C3 BC 41 02 00 00
{269} normal block at 0x00000241BCC12EE0, 16 bytes long.
Data: < GÁ¼A > A0 47 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000241BCC12E40, 16 bytes long.
Data: <xGÁ¼A > 78 47 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000241BCC0C510, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x00000241BCC129E0, 16 bytes long.
Data: <PGÁ¼A > 50 47 C1 BC 41 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000241BCC14750, 992 bytes long.
Data: <à)Á¼A ÅÀ¼A > E0 29 C1 BC 41 02 00 00 10 C5 C0 BC 41 02 00 00
{101} normal block at 0x00000241BCC0C990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x00000241BCC07A90, 16 bytes long.
Data: <@çÀ¼A > 40 E7 C0 BC 41 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000241BCC0E740, 40 bytes long.
Data: < zÀ¼A ÉÀ¼A > 90 7A C0 BC 41 02 00 00 90 C9 C0 BC 41 02 00 00
{78} normal block at 0x00000241BCC07040, 16 bytes long.
Data: < ê8Äö > 80 EA 38 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000241BCC07130, 16 bytes long.
Data: <@é8Äö > 40 E9 38 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000241BCC07950, 16 bytes long.
Data: <øW5Äö > F8 57 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000241BCC07CC0, 16 bytes long.
Data: <ØW5Äö > D8 57 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000241BCC07810, 16 bytes long.
Data: <P 5Äö > 50 04 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000241BCC07360, 16 bytes long.
Data: <0 5Äö > 30 04 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000241BCC07680, 16 bytes long.
Data: <à 5Äö > E0 02 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000241BCC07C70, 16 bytes long.
Data: < 5Äö > 10 04 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000241BCC07590, 16 bytes long.
Data: <p 5Äö > 70 04 35 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000241BCC07900, 16 bytes long.
Data: < À3Äö > 18 C0 33 C4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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