Task 38616456
| Name | hif2a_A02_A24_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND8335_0 |
| Workunit | 31568336 |
| Created | 17 Apr 2026, 20:41:19 UTC |
| Sent | 17 Apr 2026, 20:42:32 UTC |
| Report deadline | 22 Apr 2026, 20:42:32 UTC |
| Received | 17 Apr 2026, 22:26:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651565 |
| Run time | 1 hours 42 min 30 sec |
| CPU time | 1 hours 42 min 18 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 58,072.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 527.72 MB |
| Peak swap size | 9.68 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:43:46 (28524): wrapper (7.9.26016): starting
16:43:46 (28524): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A24_0.pdb
QB_A02_A24_0.xml
QB_A02_A24.inpcrd
QB_A02_A24_input.yaml
QB_A02_A24.pdb
QB_A02_A24.prmtop
QB_A02_A24_sys.xml
run.bat
run.sh
16:43:47 (28524): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:43:47 (28524): 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
18:25:35 (28524): C:/Windows/system32/cmd.exe exited; CPU time 6138.593750
18:25:35 (28524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 158301813 bytes.
Dumping objects ->
{3835542} normal block at 0x00000225A4751250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835531} normal block at 0x00000225A47513A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835520} normal block at 0x00000225A47511E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835509} normal block at 0x00000225A4751170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835498} normal block at 0x00000225A4751640, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835467} normal block at 0x00000225A124A6A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x00000225A4887A50, 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) : {3835453} normal block at 0x00000225A1231660, 8 bytes long.
Data: < Á¢% > 00 00 C1 A2 25 02 00 00
{3834703} normal block at 0x00000225A4887D10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x00000225A1232100, 8 bytes long.
Data: <Ђ'¡% > D0 82 27 A1 25 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000225A1213800, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000225A1214560, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000225A124E870, 16 bytes long.
Data: <(ô$¡% > 28 F4 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000225A124EA50, 16 bytes long.
Data: < ô$¡% > 00 F4 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000225A1230E80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000225A124F040, 16 bytes long.
Data: <Øó$¡% > D8 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000225A124F090, 16 bytes long.
Data: <°ó$¡% > B0 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000225A124E280, 16 bytes long.
Data: < ó$¡% > 88 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000225A124E9B0, 16 bytes long.
Data: <`ó$¡% > 60 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000225A122E000, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000225A124E5A0, 16 bytes long.
Data: < #¡% > 08 00 23 A1 25 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000225A12307C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000225A124E960, 16 bytes long.
Data: <àÿ"¡% > E0 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000225A124EFF0, 16 bytes long.
Data: <¸ÿ"¡% > B8 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000225A124EDC0, 16 bytes long.
Data: < ÿ"¡% > 90 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000225A124EEB0, 16 bytes long.
Data: <hÿ"¡% > 68 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000225A124EBE0, 16 bytes long.
Data: <@ÿ"¡% > 40 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000225A124E410, 16 bytes long.
Data: < ÿ"¡% > 18 FF 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000225A1230340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000225A124ED20, 16 bytes long.
Data: <ðþ"¡% > F0 FE 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000225A122FEF0, 320 bytes long.
Data: < í$¡% @ #¡% > 20 ED 24 A1 25 02 00 00 40 03 23 A1 25 02 00 00
{281} normal block at 0x00000225A124E690, 16 bytes long.
Data: <@ó$¡% > 40 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000225A124E460, 16 bytes long.
Data: < ó$¡% > 18 F3 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000225A1230DC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000225A124EF50, 16 bytes long.
Data: <ðò$¡% > F0 F2 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000225A12302E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000225A124EC80, 16 bytes long.
Data: <8ò$¡% > 38 F2 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000225A124E3C0, 16 bytes long.
Data: < ò$¡% > 10 F2 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000225A124E550, 16 bytes long.
Data: <èñ$¡% > E8 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000225A124ED70, 16 bytes long.
Data: <Àñ$¡% > C0 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000225A124E8C0, 16 bytes long.
Data: < ñ$¡% > 98 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000225A124EAA0, 16 bytes long.
Data: <pñ$¡% > 70 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000225A124EB90, 16 bytes long.
Data: <°Þ"¡% > B0 DE 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000225A122DEB0, 40 bytes long.
Data: < ë$¡%  ¦$¡% > 90 EB 24 A1 25 02 00 00 A0 A6 24 A1 25 02 00 00
{267} normal block at 0x00000225A124E730, 16 bytes long.
Data: <Pñ$¡% > 50 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000225A124EB40, 16 bytes long.
Data: <(ñ$¡% > 28 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000225A12309A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000225A124E4B0, 16 bytes long.
Data: < ñ$¡% > 00 F1 24 A1 25 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000225A124F100, 992 bytes long.
Data: <°ä$¡%   #¡% > B0 E4 24 A1 25 02 00 00 A0 09 23 A1 25 02 00 00
{99} normal block at 0x00000225A1230E20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000225A1231890, 16 bytes long.
Data: <ðÜ"¡% > F0 DC 22 A1 25 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000225A122DCF0, 40 bytes long.
Data: < #¡% #¡% > 90 18 23 A1 25 02 00 00 20 0E 23 A1 25 02 00 00
{76} normal block at 0x00000225A1231700, 16 bytes long.
Data: < ê"?ö > 80 EA 22 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000225A12319D0, 16 bytes long.
Data: <@é"?ö > 40 E9 22 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000225A12321F0, 16 bytes long.
Data: <øW ?ö > F8 57 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000225A12315C0, 16 bytes long.
Data: <ØW ?ö > D8 57 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000225A1231F20, 16 bytes long.
Data: <P ?ö > 50 04 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000225A1231C50, 16 bytes long.
Data: <0 ?ö > 30 04 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000225A1231610, 16 bytes long.
Data: <à ?ö > E0 02 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000225A1231750, 16 bytes long.
Data: < ?ö > 10 04 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000225A1232010, 16 bytes long.
Data: <p ?ö > 70 04 1F 3F F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000225A12317A0, 16 bytes long.
Data: < À ?ö > 18 C0 1D 3F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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