Task 38615522
| Name | hif2a_2_A41_A38_r0_2-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND3925_0 |
| Workunit | 31567821 |
| Created | 17 Apr 2026, 16:51:14 UTC |
| Sent | 17 Apr 2026, 17:23:25 UTC |
| Report deadline | 22 Apr 2026, 17:23:25 UTC |
| Received | 17 Apr 2026, 19:14:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651565 |
| Run time | 1 hours 48 min 57 sec |
| CPU time | 1 hours 48 min 22 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 | 453.47 MB |
| Peak swap size | 9.60 GB |
| Peak disk usage | 3.06 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
13:25:47 (38076): wrapper (7.9.26016): starting
13:25:47 (38076): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A38_0.pdb
QB_A41_A38_0.xml
QB_A41_A38.inpcrd
QB_A41_A38_input.yaml
QB_A41_A38.pdb
QB_A41_A38.prmtop
QB_A41_A38_sys.xml
run.bat
run.sh
13:25:49 (38076): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:25:49 (38076): 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
15:14:02 (38076): C:/Windows/system32/cmd.exe exited; CPU time 6502.375000
15:14:02 (38076): 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: 167931471 bytes.
Dumping objects ->
{3835542} normal block at 0x0000028480633A20, 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 0x0000028480633B00, 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 0x00000284806339B0, 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 0x00000284806332B0, 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 0x0000028480632DE0, 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 0x0000028483D13DE0, 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 0x0000028483D268D0, 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 0x000002848062F710, 8 bytes long.
Data: < ‚„ > 00 00 0A 82 84 02 00 00
{3834703} normal block at 0x0000028483D271C0, 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 0x000002848062F9E0, 8 bytes long.
Data: < ä` „ > 20 E4 60 80 84 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000028480611820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000028480612E20, 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 0x000002848064CDF0, 16 bytes long.
Data: < Bc „ > 18 42 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002848064C800, 16 bytes long.
Data: <ðAc „ > F0 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002848062F0A0, 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 0x000002848064C300, 16 bytes long.
Data: <ÈAc „ > C8 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002848064C490, 16 bytes long.
Data: < Ac „ > A0 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002848064C580, 16 bytes long.
Data: <xAc „ > 78 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002848064C170, 16 bytes long.
Data: <PAc „ > 50 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002848062BCF0, 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 0x000002848064C710, 16 bytes long.
Data: <¨ßb „ > A8 DF 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002848062E680, 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 0x000002848064C530, 16 bytes long.
Data: < ßb „ > 80 DF 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002848064CD50, 16 bytes long.
Data: <Xßb „ > 58 DF 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002848064C6C0, 16 bytes long.
Data: <0ßb „ > 30 DF 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002848064C670, 16 bytes long.
Data: < ßb „ > 08 DF 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002848064C8A0, 16 bytes long.
Data: <àÞb „ > E0 DE 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002848064CA30, 16 bytes long.
Data: <¸Þb „ > B8 DE 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002848062EFE0, 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 0x000002848064C4E0, 16 bytes long.
Data: < Þb „ > 90 DE 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002848062DE90, 320 bytes long.
Data: <àÄd „ àïb „ > E0 C4 64 80 84 02 00 00 E0 EF 62 80 84 02 00 00
{281} normal block at 0x000002848064C620, 16 bytes long.
Data: <0Ac „ > 30 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002848064CD00, 16 bytes long.
Data: < Ac „ > 08 41 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002848062EE00, 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 0x000002848064CCB0, 16 bytes long.
Data: <à@c „ > E0 40 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002848062EB60, 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 0x000002848064CC10, 16 bytes long.
Data: <(@c „ > 28 40 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002848064C440, 16 bytes long.
Data: < @c „ > 00 40 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002848064CC60, 16 bytes long.
Data: <Ø?c „ > D8 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002848064CE90, 16 bytes long.
Data: <°?c „ > B0 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002848064C210, 16 bytes long.
Data: < ?c „ > 88 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002848064C9E0, 16 bytes long.
Data: <`?c „ > 60 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002848064C850, 16 bytes long.
Data: < ¼b „ > 80 BC 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002848062BC80, 40 bytes long.
Data: <PÈd „ à=у„ > 50 C8 64 80 84 02 00 00 E0 3D D1 83 84 02 00 00
{267} normal block at 0x000002848064CBC0, 16 bytes long.
Data: <@?c „ > 40 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002848064CF80, 16 bytes long.
Data: < ?c „ > 18 3F 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002848062EF80, 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 0x000002848064CDA0, 16 bytes long.
Data: <ð>c „ > F0 3E 63 80 84 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028480633EF0, 992 bytes long.
Data: < Íd „ ïb „ > A0 CD 64 80 84 02 00 00 80 EF 62 80 84 02 00 00
{99} normal block at 0x000002848062E740, 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 0x000002848062F670, 16 bytes long.
Data: < ¸b „ > 90 B8 62 80 84 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000002848062B890, 40 bytes long.
Data: <pöb „ @çb „ > 70 F6 62 80 84 02 00 00 40 E7 62 80 84 02 00 00
{76} normal block at 0x000002848062F8A0, 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 0x000002848062FE90, 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 0x000002848062FAD0, 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 0x0000028480630020, 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 0x000002848062F2B0, 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 0x000002848062F6C0, 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 0x000002848062F580, 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 0x000002848062F4E0, 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 0x000002848062F490, 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 0x000002848062F620, 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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