Task 38597361
| Name | p38_A17_A08_r0_3-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND2834_0 |
| Workunit | 31553260 |
| Created | 8 Apr 2026, 7:46:46 UTC |
| Sent | 8 Apr 2026, 8:10:22 UTC |
| Report deadline | 13 Apr 2026, 8:10:22 UTC |
| Received | 8 Apr 2026, 17:08:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 412361 |
| Run time | 8 hours 48 min 37 sec |
| CPU time | 8 hours 12 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,184.93 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 636.95 MB |
| Peak swap size | 3.71 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>7.22.2</core_client_version>
<![CDATA[
<stderr_txt>
04:20:52 (33356): wrapper (7.9.26016): starting
04:20:52 (33356): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A08_0.pdb
QB_A17_A08_0.xml
QB_A17_A08.inpcrd
QB_A17_A08_input.yaml
QB_A17_A08.pdb
QB_A17_A08.prmtop
QB_A17_A08_sys.xml
run.bat
run.sh
04:20:57 (33356): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:20:57 (33356): 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
13:07:20 (33356): C:/Windows/system32/cmd.exe exited; CPU time 29577.875000
13:07:20 (33356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
428 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: 359701610 bytes.
Dumping objects ->
{3835302} normal block at 0x0000024DF59CA2A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x0000024DF59C99E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835280} normal block at 0x0000024DF59CA620, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835269} normal block at 0x0000024DF59CA690, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x0000024DF59CA230, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835227} normal block at 0x0000024DF746FB10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835216} normal block at 0x0000024DF7470120, 86 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) : {3835213} normal block at 0x0000024DF599C1A0, 8 bytes long.
Data: < –õM > 00 00 96 F5 4D 02 00 00
{3834569} normal block at 0x0000024DF7470080, 86 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 0x0000024DF599B890, 8 bytes long.
Data: < ê õM > 80 EA 98 F5 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024DF59A5190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024DF5980780, 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 0x0000024DF59A70D0, 16 bytes long.
Data: <8wšõM > 38 77 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024DF59A6810, 16 bytes long.
Data: < wšõM > 10 77 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024DF59A1B70, 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 0x0000024DF59A6720, 16 bytes long.
Data: <èvšõM > E8 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024DF59A7080, 16 bytes long.
Data: <ÀvšõM > C0 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024DF59A6770, 16 bytes long.
Data: < všõM > 98 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024DF59A7030, 16 bytes long.
Data: <pvšõM > 70 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024DF59A0AF0, 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 0x0000024DF59A6FE0, 16 bytes long.
Data: < û õM > 08 FB 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024DF59A2830, 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 0x0000024DF59A6680, 16 bytes long.
Data: <àú õM > E0 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024DF59A6B80, 16 bytes long.
Data: <¸ú õM > B8 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024DF59A6F40, 16 bytes long.
Data: < ú õM > 90 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024DF59A6B30, 16 bytes long.
Data: <hú õM > 68 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024DF59A6450, 16 bytes long.
Data: <@ú õM > 40 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024DF59A67C0, 16 bytes long.
Data: < ú õM > 18 FA 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024DF59A23B0, 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 0x0000024DF59A73A0, 16 bytes long.
Data: <ðù õM > F0 F9 98 F5 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024DF598F9F0, 320 bytes long.
Data: < sšõM °#šõM > A0 73 9A F5 4D 02 00 00 B0 23 9A F5 4D 02 00 00
{273} normal block at 0x0000024DF59A6A40, 16 bytes long.
Data: <PvšõM > 50 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024DF59A6950, 16 bytes long.
Data: <(všõM > 28 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024DF59A1F90, 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 0x0000024DF59A6630, 16 bytes long.
Data: < všõM > 00 76 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024DF59A1C30, 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 0x0000024DF59A7260, 16 bytes long.
Data: <HušõM > 48 75 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024DF59A6590, 16 bytes long.
Data: < ušõM > 20 75 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024DF59A69A0, 16 bytes long.
Data: <øtšõM > F8 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024DF59A69F0, 16 bytes long.
Data: <ÐtšõM > D0 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024DF59A66D0, 16 bytes long.
Data: <¨tšõM > A8 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024DF59A6900, 16 bytes long.
Data: < tšõM > 80 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024DF59A6EF0, 16 bytes long.
Data: < šõM > 90 06 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024DF59A0690, 40 bytes long.
Data: <ðnšõM ûF÷M > F0 6E 9A F5 4D 02 00 00 10 FB 46 F7 4D 02 00 00
{259} normal block at 0x0000024DF59A6EA0, 16 bytes long.
Data: <`tšõM > 60 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024DF59A6DB0, 16 bytes long.
Data: <8tšõM > 38 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000024DF59A1E70, 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 0x0000024DF59A72B0, 16 bytes long.
Data: < tšõM > 10 74 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000024DF59A7410, 992 bytes long.
Data: <°ršõM p šõM > B0 72 9A F5 4D 02 00 00 70 1E 9A F5 4D 02 00 00
{91} normal block at 0x0000024DF59A26B0, 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 0x0000024DF599B980, 16 bytes long.
Data: <À šõM > C0 08 9A F5 4D 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000024DF59A08C0, 40 bytes long.
Data: < ¹ õM °&šõM > 80 B9 99 F5 4D 02 00 00 B0 26 9A F5 4D 02 00 00
{68} normal block at 0x0000024DF599B7A0, 16 bytes long.
Data: < êéñö > 80 EA E9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024DF599C010, 16 bytes long.
Data: <@ééñö > 40 E9 E9 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024DF599C100, 16 bytes long.
Data: <øWæñö > F8 57 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024DF599BD40, 16 bytes long.
Data: <ØWæñö > D8 57 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024DF599BCF0, 16 bytes long.
Data: <P æñö > 50 04 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024DF599C290, 16 bytes long.
Data: <0 æñö > 30 04 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024DF599BFC0, 16 bytes long.
Data: <à æñö > E0 02 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024DF599C0B0, 16 bytes long.
Data: < æñö > 10 04 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024DF599BE30, 16 bytes long.
Data: <p æñö > 70 04 E6 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000024DF599BC00, 16 bytes long.
Data: < Àäñö > 18 C0 E4 F1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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