Task 38602347
| Name | MCL1_A14_A04_r0_1-QUICO_ATM_GAFF2_NAGL_MCL1-1-6-RND8488_2 |
| Workunit | 31556739 |
| Created | 10 Apr 2026, 0:31:38 UTC |
| Sent | 10 Apr 2026, 0:31:48 UTC |
| Report deadline | 15 Apr 2026, 0:31:48 UTC |
| Received | 10 Apr 2026, 9:45:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639237 |
| Run time | 2 hours 13 min 51 sec |
| CPU time | 2 hours 13 min 51 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,330.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 490.70 MB |
| Peak swap size | 9.57 GB |
| Peak disk usage | 2.91 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:33:04 (5468): wrapper (7.9.26016): starting
02:33:04 (5468): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A04_0.pdb
QB_A14_A04_0.xml
QB_A14_A04.inpcrd
QB_A14_A04_input.yaml
QB_A14_A04.pdb
QB_A14_A04.prmtop
QB_A14_A04_sys.xml
run.bat
run.sh
02:33:05 (5468): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:05 (5468): 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 'D:\BOINCData\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 'D:\BOINCData\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
04:43:47 (5468): C:/Windows/system32/cmd.exe exited; CPU time 8031.453125
04:43:47 (5468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 106151349 bytes.
Dumping objects ->
{3835219} normal block at 0x000001BEF3C15090, 48 bytes long.
Data: <PATH=D:\BOINCDat> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 61 74
{3835208} normal block at 0x000001BEF5A50910, 32 bytes long.
Data: <HOME=D:\BOINCDat> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 44 61 74
{3835197} normal block at 0x000001BEF5A51810, 32 bytes long.
Data: <TMP=D:\BOINCData> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 61 74 61
{3835186} normal block at 0x000001BEF5A50250, 32 bytes long.
Data: <TEMP=D:\BOINCDat> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 44 61 74
{3835175} normal block at 0x000001BEF5A50B50, 32 bytes long.
Data: <TMPDIR=D:\BOINCD> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 44
{3835144} normal block at 0x000001BEF3C14F40, 48 bytes long.
Data: <PATH=D:\BOINCDat> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 44 61 74
{3835133} normal block at 0x000001BEF5A1F860, 102 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) : {3835130} normal block at 0x000001BEF3C0E8A0, 8 bytes long.
Data: < ô¾ > 00 00 10 F4 BE 01 00 00
{3834534} normal block at 0x000001BEF5A1F9C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x000001BEF3C0EB70, 8 bytes long.
Data: <pÖ¿ó¾ > 70 D6 BF F3 BE 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001BEF3C01BF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BEF3C025C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001BEF3C16A00, 16 bytes long.
Data: <ÈtÁó¾ > C8 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001BEF3C16F00, 16 bytes long.
Data: < tÁó¾ > A0 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BEF3C121D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001BEF3C16AA0, 16 bytes long.
Data: <xtÁó¾ > 78 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BEF3C16E60, 16 bytes long.
Data: <PtÁó¾ > 50 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BEF3C165F0, 16 bytes long.
Data: <(tÁó¾ > 28 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001BEF3C16EB0, 16 bytes long.
Data: < tÁó¾ > 00 74 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BEF3C14FB0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001BEF3C16A50, 16 bytes long.
Data: <¸ Àó¾ > B8 00 C0 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001BEF3C122F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001BEF3C16550, 16 bytes long.
Data: < Àó¾ > 90 00 C0 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BEF3C16FA0, 16 bytes long.
Data: <h Àó¾ > 68 00 C0 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BEF3C164B0, 16 bytes long.
Data: <@ Àó¾ > 40 00 C0 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BEF3C16410, 16 bytes long.
Data: < Àó¾ > 18 00 C0 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BEF3C165A0, 16 bytes long.
Data: <ðÿ¿ó¾ > F0 FF BF F3 BE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001BEF3C17090, 16 bytes long.
Data: <Èÿ¿ó¾ > C8 FF BF F3 BE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BEF3C12530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001BEF3C161E0, 16 bytes long.
Data: < ÿ¿ó¾ > A0 FF BF F3 BE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BEF3BFFFA0, 320 bytes long.
Data: <àaÁó¾ 0%Áó¾ > E0 61 C1 F3 BE 01 00 00 30 25 C1 F3 BE 01 00 00
{274} normal block at 0x000001BEF3C16280, 16 bytes long.
Data: <àsÁó¾ > E0 73 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BEF3C163C0, 16 bytes long.
Data: <¸sÁó¾ > B8 73 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BEF3C118D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001BEF3C16910, 16 bytes long.
Data: < sÁó¾ > 90 73 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BEF3C124D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001BEF3C16E10, 16 bytes long.
Data: <ØrÁó¾ > D8 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BEF3C16960, 16 bytes long.
Data: <°rÁó¾ > B0 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BEF3C16DC0, 16 bytes long.
Data: < rÁó¾ > 88 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BEF3C16BE0, 16 bytes long.
Data: <`rÁó¾ > 60 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001BEF3C162D0, 16 bytes long.
Data: <8rÁó¾ > 38 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BEF3C16500, 16 bytes long.
Data: < rÁó¾ > 10 72 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BEF3C16D70, 16 bytes long.
Data: < IÁó¾ > 90 49 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BEF3C14990, 40 bytes long.
Data: <pmÁó¾ @OÁó¾ > 70 6D C1 F3 BE 01 00 00 40 4F C1 F3 BE 01 00 00
{260} normal block at 0x000001BEF3C16AF0, 16 bytes long.
Data: <ðqÁó¾ > F0 71 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BEF3C17130, 16 bytes long.
Data: <ÈqÁó¾ > C8 71 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BEF3C120B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001BEF3C16640, 16 bytes long.
Data: < qÁó¾ > A0 71 C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BEF3C171A0, 992 bytes long.
Data: <@fÁó¾ ° Áó¾ > 40 66 C1 F3 BE 01 00 00 B0 20 C1 F3 BE 01 00 00
{92} normal block at 0x000001BEF3C12290, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001BEF3C0EAD0, 16 bytes long.
Data: <ÐNÁó¾ > D0 4E C1 F3 BE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001BEF3C14ED0, 40 bytes long.
Data: <ÐêÀó¾ "Áó¾ > D0 EA C0 F3 BE 01 00 00 90 22 C1 F3 BE 01 00 00
{69} normal block at 0x000001BEF3C0E0D0, 16 bytes long.
Data: < êŸà÷ > 80 EA 9F E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BEF3C0E030, 16 bytes long.
Data: <@éŸà÷ > 40 E9 9F E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BEF3C0E710, 16 bytes long.
Data: <øWœà÷ > F8 57 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BEF3C0EA30, 16 bytes long.
Data: <ØWœà÷ > D8 57 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BEF3C0E490, 16 bytes long.
Data: <P œà÷ > 50 04 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BEF3C0ED50, 16 bytes long.
Data: <0 œà÷ > 30 04 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BEF3C0E850, 16 bytes long.
Data: <à œà÷ > E0 02 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BEF3C0E2B0, 16 bytes long.
Data: < œà÷ > 10 04 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BEF3C0E4E0, 16 bytes long.
Data: <p œà÷ > 70 04 9C E0 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BEF3C0DF90, 16 bytes long.
Data: < Àšà÷ > 18 C0 9A E0 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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