Task 38580568
| Name | JNK1_A20_A01_r1_1-QUICO_ATM_GAFF2_LOMAP_JNK1_3-0-5-RND9129_0 |
| Workunit | 31545302 |
| Created | 11 Dec 2025, 16:06:58 UTC |
| Sent | 11 Dec 2025, 16:07:01 UTC |
| Report deadline | 16 Dec 2025, 16:07:01 UTC |
| Received | 12 Dec 2025, 11:36:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 625157 |
| Run time | 9 hours 17 min 23 sec |
| CPU time | 9 hours 17 min 23 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,338.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.70 MB |
| Peak swap size | 12.87 GB |
| Peak disk usage | 3.50 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:33:22 (32828): wrapper (7.9.26016): starting
17:33:22 (32828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A01_0.pdb
QB_A20_A01_0.xml
QB_A20_A01_equil.pdb
QB_A20_A01.inpcrd
QB_A20_A01_input.yaml
QB_A20_A01_mdlambda.pdb
QB_A20_A01_min.pdb
QB_A20_A01_npt.pdb
QB_A20_A01_out_merged_nowater.pdb
QB_A20_A01.pdb
QB_A20_A01.prmtop
QB_A20_A01_sys.xml
QB_A20_A01_therm.pdb
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835171} normal block at 0x00000180A5A3EB20, 8 bytes long.
Data: < > 00 00 EF A5 80 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x00000180A5A6AC30, 1080 bytes long.
Data: <$. > 24 2E 00 00 CD CD CD CD 18 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000180A5A33210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:14:45 (26208): wrapper (7.9.26016): starting
03:14:45 (26208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A01_0.pdb
QB_A20_A01_0.xml
QB_A20_A01_equil.pdb
QB_A20_A01.inpcrd
QB_A20_A01_input.yaml
QB_A20_A01_mdlambda.pdb
QB_A20_A01_min.pdb
QB_A20_A01_npt.pdb
QB_A20_A01_out_merged_nowater.pdb
QB_A20_A01.pdb
QB_A20_A01.prmtop
QB_A20_A01_sys.xml
QB_A20_A01_therm.pdb
run.bat
run.sh
03:14:47 (26208): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:14:47 (26208): 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 'L:\BOINCProjects\slots\13\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 'L:\BOINCProjects\slots\13\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
12:31:06 (26208): C:/Windows/system32/cmd.exe exited; CPU time 33443.812500
12:31:06 (26208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 637301419 bytes.
Dumping objects ->
{1606} normal block at 0x000001F0C08F5660, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{1595} normal block at 0x000001F0C08F1080, 32 bytes long.
Data: <HOME=L:\BOINCPro> 48 4F 4D 45 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{1584} normal block at 0x000001F0C08F1020, 32 bytes long.
Data: <TMP=L:\BOINCProj> 54 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F 6A
{1573} normal block at 0x000001F0C08F0F60, 32 bytes long.
Data: <TEMP=L:\BOINCPro> 54 45 4D 50 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
{1562} normal block at 0x000001F0C08F5350, 48 bytes long.
Data: <TMPDIR=L:\BOINCP> 54 4D 50 44 49 52 3D 4C 3A 5C 42 4F 49 4E 43 50
{1531} normal block at 0x000001F0C08F5190, 48 bytes long.
Data: <PATH=L:\BOINCPro> 50 41 54 48 3D 4C 3A 5C 42 4F 49 4E 43 50 72 6F
..\api\boinc_api.cpp(309) : {1518} normal block at 0x000001F0C08F5FA0, 8 bytes long.
Data: < > 00 00 DE C0 F0 01 00 00
{302} normal block at 0x000001F0C08F5FF0, 8 bytes long.
Data: < l > A0 6C 8F C0 F0 01 00 00
{294} normal block at 0x000001F0C08E1E90, 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 0x000001F0C08F6630, 16 bytes long.
Data: < k > A8 6B 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F0C08F5EB0, 16 bytes long.
Data: < k > 80 6B 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F0C08F1680, 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 0x000001F0C08F6400, 16 bytes long.
Data: <Xk > 58 6B 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F0C08F5E60, 16 bytes long.
Data: <0k > 30 6B 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F0C08F6810, 16 bytes long.
Data: < k > 08 6B 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F0C08F5A00, 16 bytes long.
Data: < j > E0 6A 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F0C08F5430, 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 0x000001F0C08F6220, 16 bytes long.
Data: < > 18 07 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F0C08F0FC0, 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 0x000001F0C08F63B0, 16 bytes long.
Data: < > F0 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F0C08F5910, 16 bytes long.
Data: < > C8 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F0C08F5B40, 16 bytes long.
Data: < > A0 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F0C08F5E10, 16 bytes long.
Data: <x > 78 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F0C08F6770, 16 bytes long.
Data: <P > 50 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F0C08F5AA0, 16 bytes long.
Data: <( > 28 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F0C08F1BC0, 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 0x000001F0C08F5F00, 16 bytes long.
Data: < > 00 06 8E C0 F0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F0C08E0600, 320 bytes long.
Data: < _ > 00 5F 8F C0 F0 01 00 00 C0 1B 8F C0 F0 01 00 00
{273} normal block at 0x000001F0C08F5A50, 16 bytes long.
Data: < j > C0 6A 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F0C08F61D0, 16 bytes long.
Data: < j > 98 6A 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F0C08F1920, 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 0x000001F0C08F5960, 16 bytes long.
Data: <pj > 70 6A 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F0C08F1200, 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 0x000001F0C08F6130, 16 bytes long.
Data: < i > B8 69 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F0C08F6360, 16 bytes long.
Data: < i > 90 69 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F0C08F62C0, 16 bytes long.
Data: <hi > 68 69 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F0C08F6180, 16 bytes long.
Data: <@i > 40 69 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F0C08F64F0, 16 bytes long.
Data: < i > 18 69 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F0C08F67C0, 16 bytes long.
Data: < h > F0 68 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F0C08F5AF0, 16 bytes long.
Data: < Q > 20 51 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F0C08F5120, 40 bytes long.
Data: < Z Q > F0 5A 8F C0 F0 01 00 00 90 51 8F C0 F0 01 00 00
{259} normal block at 0x000001F0C08F5CD0, 16 bytes long.
Data: < h > D0 68 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F0C08F60E0, 16 bytes long.
Data: < h > A8 68 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F0C08F1C20, 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 0x000001F0C08F5DC0, 16 bytes long.
Data: < h > 80 68 8F C0 F0 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F0C08F6880, 992 bytes long.
Data: < ] > C0 5D 8F C0 F0 01 00 00 20 1C 8F C0 F0 01 00 00
{91} normal block at 0x000001F0C08F11A0, 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 0x000001F0C08EE030, 16 bytes long.
Data: < > 90 DB 8D C0 F0 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001F0C08DDB90, 40 bytes long.
Data: <0 > 30 E0 8E C0 F0 01 00 00 A0 11 8F C0 F0 01 00 00
{68} normal block at 0x000001F0C08ED270, 16 bytes long.
Data: < M > 80 EA 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F0C08ED540, 16 bytes long.
Data: <@ M > 40 E9 9E 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F0C08ED7C0, 16 bytes long.
Data: < W M > F8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F0C08EE080, 16 bytes long.
Data: < W M > D8 57 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F0C08ED4A0, 16 bytes long.
Data: <P M > 50 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F0C08EDF40, 16 bytes long.
Data: <0 M > 30 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F0C08ED860, 16 bytes long.
Data: < M > E0 02 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F0C08ED450, 16 bytes long.
Data: < M > 10 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F0C08EDB80, 16 bytes long.
Data: <p M > 70 04 9B 4D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F0C08EE120, 16 bytes long.
Data: < M > 18 C0 99 4D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra