Task 38581051
| Name | PFKFB3_A09_A37_r0_2-QUICO_ATM_GAFF2_LOMAP_PFKFB3-0-5-RND8034_0 |
| Workunit | 31545577 |
| Created | 12 Dec 2025, 10:32:07 UTC |
| Sent | 12 Dec 2025, 10:32:14 UTC |
| Report deadline | 17 Dec 2025, 10:32:14 UTC |
| Received | 14 Dec 2025, 7:21:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 457130 |
| Run time | 12 hours 17 min 4 sec |
| CPU time | 12 hours 17 min 4 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,333.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 765.16 MB |
| Peak swap size | 9.96 GB |
| Peak disk usage | 4.12 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:01:21 (23136): wrapper (7.9.26016): starting
19:01:21 (23136): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A37_0.pdb
QB_A09_A37_0.xml
QB_A09_A37_equil.pdb
QB_A09_A37.inpcrd
QB_A09_A37_input.yaml
QB_A09_A37_mdlambda.pdb
QB_A09_A37_min.pdb
QB_A09_A37_npt.pdb
QB_A09_A37.pdb
QB_A09_A37.prmtop
QB_A09_A37_sys.xml
QB_A09_A37_therm.pdb
run.bat
run.sh
19:01:23 (23136): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:01:23 (23136): 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:\BOINC7.6data\slots\15\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:\BOINC7.6data\slots\15\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
07:13:18 (23136): C:/Windows/system32/cmd.exe exited; CPU time 44224.531250
07:13:18 (23136): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 643364819 bytes.
Dumping objects ->
{3835315} normal block at 0x000001F1AE8D1330, 48 bytes long.
Data: <PATH=C:\BOINC7.6> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835304} normal block at 0x000001F1AEA154F0, 32 bytes long.
Data: <HOME=C:\BOINC7.6> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835293} normal block at 0x000001F1AEA14B30, 32 bytes long.
Data: <TMP=C:\BOINC7.6d> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36 64
{3835282} normal block at 0x000001F1AEA14E30, 32 bytes long.
Data: <TEMP=C:\BOINC7.6> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835271} normal block at 0x000001F1AEA14D70, 32 bytes long.
Data: <TMPDIR=C:\BOINC7> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 37
{3835240} normal block at 0x000001F1AE8D07D0, 48 bytes long.
Data: <PATH=C:\BOINC7.6> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 37 2E 36
{3835229} normal block at 0x000001F1AE972250, 180 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) : {3835226} normal block at 0x000001F1ACCC6D60, 8 bytes long.
Data: < ʬñ > 00 00 CA AC F1 01 00 00
{3834584} normal block at 0x000001F1AE972AC0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001F1ACCC6950, 8 bytes long.
Data: <à…¡®ñ > E0 85 A1 AE F1 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001F1ACCD1530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F1ACCB5EE0, 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 0x000001F1ACCD3010, 16 bytes long.
Data: <h;ͬñ > 68 3B CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F1ACCD2B60, 16 bytes long.
Data: <@;ͬñ > 40 3B CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F1ACCCDB10, 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 0x000001F1ACCD2DE0, 16 bytes long.
Data: < ;ͬñ > 18 3B CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F1ACCD29D0, 16 bytes long.
Data: <ð:ͬñ > F0 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F1ACCD2FC0, 16 bytes long.
Data: <È:ͬñ > C8 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F1ACCD27F0, 16 bytes long.
Data: < :ͬñ > A0 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F1ACCCBB40, 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 0x000001F1ACCD3150, 16 bytes long.
Data: <x^ˬñ > 78 5E CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F1ACCCDC30, 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 0x000001F1ACCD2570, 16 bytes long.
Data: <P^ˬñ > 50 5E CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F1ACCD2520, 16 bytes long.
Data: <(^ˬñ > 28 5E CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F1ACCD30B0, 16 bytes long.
Data: < ^ˬñ > 00 5E CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F1ACCD2B10, 16 bytes long.
Data: <Ø]ˬñ > D8 5D CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F1ACCD3100, 16 bytes long.
Data: <°]ˬñ > B0 5D CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F1ACCD2660, 16 bytes long.
Data: < ]ˬñ > 88 5D CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F1ACCCCF10, 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 0x000001F1ACCD27A0, 16 bytes long.
Data: <`]ˬñ > 60 5D CB AC F1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F1ACCB5D60, 320 bytes long.
Data: < 'ͬñ Ï̬ñ > A0 27 CD AC F1 01 00 00 10 CF CC AC F1 01 00 00
{273} normal block at 0x000001F1ACCD3240, 16 bytes long.
Data: < :ͬñ > 80 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F1ACCD24D0, 16 bytes long.
Data: <X:ͬñ > 58 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F1ACCCD7B0, 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 0x000001F1ACCD31F0, 16 bytes long.
Data: <0:ͬñ > 30 3A CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F1ACCCD9F0, 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 0x000001F1ACCD2A70, 16 bytes long.
Data: <x9ͬñ > 78 39 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F1ACCD2E80, 16 bytes long.
Data: <P9ͬñ > 50 39 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F1ACCD3060, 16 bytes long.
Data: <(9ͬñ > 28 39 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F1ACCD2750, 16 bytes long.
Data: < 9ͬñ > 00 39 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F1ACCD2890, 16 bytes long.
Data: <Ø8ͬñ > D8 38 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F1ACCD25C0, 16 bytes long.
Data: <°8ͬñ > B0 38 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F1ACCD2700, 16 bytes long.
Data: < µÌ¬ñ > 90 B5 CC AC F1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F1ACCCB590, 40 bytes long.
Data: < 'ͬñ Ð ®ñ > 00 27 CD AC F1 01 00 00 D0 07 8D AE F1 01 00 00
{259} normal block at 0x000001F1ACCD2840, 16 bytes long.
Data: < 8ͬñ > 90 38 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F1ACCD31A0, 16 bytes long.
Data: <h8ͬñ > 68 38 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F1ACCCD510, 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 0x000001F1ACCD3380, 16 bytes long.
Data: <@8ͬñ > 40 38 CD AC F1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F1ACCD3840, 992 bytes long.
Data: < 3ͬñ Õ̬ñ > 80 33 CD AC F1 01 00 00 10 D5 CC AC F1 01 00 00
{91} normal block at 0x000001F1ACCCD750, 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 0x000001F1ACCC69A0, 16 bytes long.
Data: <0¸Ì¬ñ > 30 B8 CC AC F1 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001F1ACCCB830, 40 bytes long.
Data: < i̬ñ P×̬ñ > A0 69 CC AC F1 01 00 00 50 D7 CC AC F1 01 00 00
{68} normal block at 0x000001F1ACCC7350, 16 bytes long.
Data: < ꇓö > 80 EA 87 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F1ACCC68B0, 16 bytes long.
Data: <@釓ö > 40 E9 87 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F1ACCC73F0, 16 bytes long.
Data: <øW„“ö > F8 57 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F1ACCC6A40, 16 bytes long.
Data: <ØW„“ö > D8 57 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F1ACCC6C70, 16 bytes long.
Data: <P „“ö > 50 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F1ACCC7030, 16 bytes long.
Data: <0 „“ö > 30 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F1ACCC6FE0, 16 bytes long.
Data: <à „“ö > E0 02 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F1ACCC6C20, 16 bytes long.
Data: < „“ö > 10 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F1ACCC7300, 16 bytes long.
Data: <p „“ö > 70 04 84 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F1ACCC7260, 16 bytes long.
Data: < À‚“ö > 18 C0 82 93 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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