Task 38584234
| Name | JNK1_A20_A12_r0_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND5070_2 |
| Workunit | 31545311 |
| Created | 16 Dec 2025, 16:48:14 UTC |
| Sent | 16 Dec 2025, 16:48:18 UTC |
| Report deadline | 21 Dec 2025, 16:48:18 UTC |
| Received | 17 Dec 2025, 19:25:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627029 |
| Run time | 5 hours 15 min 59 sec |
| CPU time | 5 hours 15 min 59 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,317.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 572.53 MB |
| Peak swap size | 2.32 GB |
| Peak disk usage | 3.51 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:13:26 (16716): wrapper (7.9.26016): starting
09:13:26 (16716): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A12_0.pdb
QB_A20_A12_0.xml
QB_A20_A12_equil.pdb
QB_A20_A12.inpcrd
QB_A20_A12_input.yaml
QB_A20_A12_mdlambda.pdb
QB_A20_A12_min.pdb
QB_A20_A12_npt.pdb
QB_A20_A12_out_merged_nowater.pdb
QB_A20_A12.pdb
QB_A20_A12.prmtop
QB_A20_A12_sys.xml
QB_A20_A12_therm.pdb
run.bat
run.sh
09:13:49 (16716): Library/usr/bin/tar.exe exited; CPU time 0.078125
09:13:49 (16716): 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\6\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\6\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
15:04:17 (16716): C:/Windows/system32/cmd.exe exited; CPU time 18959.109375
15:04:17 (16716): 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: 348280321 bytes.
Dumping objects ->
{3835277} normal block at 0x000001AD93750F90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000001AD93751540, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001AD93750BA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x000001AD93751070, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001AD93751690, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x000001AD93BA3200, 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) : {3835188} normal block at 0x000001AD91DAC9E0, 8 bytes long.
Data: < x“­ > 00 00 78 93 AD 01 00 00
{3834045} normal block at 0x000001AD91DAC760, 8 bytes long.
Data: <ÀíÙ‘­ > C0 ED D9 91 AD 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001AD91DB7B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AD91DB8BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001AD91DB9030, 16 bytes long.
Data: <X¡Û‘­ > 58 A1 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AD91DB9260, 16 bytes long.
Data: <0¡Û‘­ > 30 A1 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AD91DB31A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001AD91DB9BC0, 16 bytes long.
Data: < ¡Û‘­ > 08 A1 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AD91DB9440, 16 bytes long.
Data: <à Û‘­ > E0 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001AD91DB9B20, 16 bytes long.
Data: <¸ Û‘­ > B8 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AD91DB9AD0, 16 bytes long.
Data: <  Û‘­ > 90 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AD91DB18C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001AD91DB8E00, 16 bytes long.
Data: <X‹Û‘­ > 58 8B DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AD91DB30E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001AD91DB9760, 16 bytes long.
Data: <0‹Û‘­ > 30 8B DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AD91DB9A80, 16 bytes long.
Data: < ‹Û‘­ > 08 8B DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AD91DB8EA0, 16 bytes long.
Data: <àŠÛ‘­ > E0 8A DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AD91DB95D0, 16 bytes long.
Data: <¸ŠÛ‘­ > B8 8A DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AD91DB8DB0, 16 bytes long.
Data: < ŠÛ‘­ > 90 8A DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AD91DB8D60, 16 bytes long.
Data: <hŠÛ‘­ > 68 8A DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AD91DB3800, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001AD91DB96C0, 16 bytes long.
Data: <@ŠÛ‘­ > 40 8A DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AD91DB8A40, 320 bytes long.
Data: <À–Û‘­ 8Û‘­ > C0 96 DB 91 AD 01 00 00 00 38 DB 91 AD 01 00 00
{273} normal block at 0x000001AD91DB9940, 16 bytes long.
Data: <p Û‘­ > 70 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AD91DB93F0, 16 bytes long.
Data: <H Û‘­ > 48 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AD91DB37A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001AD91DB9530, 16 bytes long.
Data: <  Û‘­ > 20 A0 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AD91DB2C60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001AD91DB94E0, 16 bytes long.
Data: <hŸÛ‘­ > 68 9F DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AD91DB9350, 16 bytes long.
Data: <@ŸÛ‘­ > 40 9F DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AD91DB8FE0, 16 bytes long.
Data: < ŸÛ‘­ > 18 9F DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AD91DB9620, 16 bytes long.
Data: <ðžÛ‘­ > F0 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AD91DB8F90, 16 bytes long.
Data: <ÈžÛ‘­ > C8 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AD91DB8D10, 16 bytes long.
Data: < žÛ‘­ > A0 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AD91DB9300, 16 bytes long.
Data: <@ Û‘­ > 40 15 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AD91DB1540, 40 bytes long.
Data: < “Û‘­ 2º“­ > 00 93 DB 91 AD 01 00 00 00 32 BA 93 AD 01 00 00
{259} normal block at 0x000001AD91DB8CC0, 16 bytes long.
Data: < žÛ‘­ > 80 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AD91DB92B0, 16 bytes long.
Data: <XžÛ‘­ > 58 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001AD91DB3920, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001AD91DB9580, 16 bytes long.
Data: <0žÛ‘­ > 30 9E DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AD91DB9E30, 992 bytes long.
Data: < •Û‘­ 9Û‘­ > 80 95 DB 91 AD 01 00 00 20 39 DB 91 AD 01 00 00
{91} normal block at 0x000001AD91DB3320, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001AD91DAC8F0, 16 bytes long.
Data: < Û‘­ > 80 13 DB 91 AD 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001AD91DB1380, 40 bytes long.
Data: <ðÈÚ‘­ 3Û‘­ > F0 C8 DA 91 AD 01 00 00 20 33 DB 91 AD 01 00 00
{66} normal block at 0x000001AD91DAC940, 16 bytes long.
Data: < ê ¶ö > 80 EA 07 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AD91DAD3E0, 16 bytes long.
Data: <@é ¶ö > 40 E9 07 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AD91DAC7B0, 16 bytes long.
Data: <øW ¶ö > F8 57 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AD91DACA80, 16 bytes long.
Data: <ØW ¶ö > D8 57 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AD91DAC670, 16 bytes long.
Data: <P ¶ö > 50 04 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AD91DACDF0, 16 bytes long.
Data: <0 ¶ö > 30 04 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AD91DAC620, 16 bytes long.
Data: <à ¶ö > E0 02 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AD91DAD0C0, 16 bytes long.
Data: < ¶ö > 10 04 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AD91DAD340, 16 bytes long.
Data: <p ¶ö > 70 04 04 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AD91DAD250, 16 bytes long.
Data: < À ¶ö > 18 C0 02 B6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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