Task 38582088
| Name | HIF2A_A25_A28_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND8217_0 |
| Workunit | 31546456 |
| Created | 12 Dec 2025, 20:49:33 UTC |
| Sent | 12 Dec 2025, 20:49:41 UTC |
| Report deadline | 17 Dec 2025, 20:49:41 UTC |
| Received | 13 Dec 2025, 6:18:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630359 |
| Run time | 3 hours 8 min 52 sec |
| CPU time | 3 hours 8 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,400.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 489.91 MB |
| Peak swap size | 12.50 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:10:31 (255972): wrapper (7.9.26016): starting
20:10:31 (255972): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A25_A28_0.pdb
QB_A25_A28_0.xml
QB_A25_A28_equil.pdb
QB_A25_A28.inpcrd
QB_A25_A28_input.yaml
QB_A25_A28_mdlambda.pdb
QB_A25_A28_min.pdb
QB_A25_A28_npt.pdb
QB_A25_A28.pdb
QB_A25_A28.prmtop
QB_A25_A28_sys.xml
QB_A25_A28_therm.pdb
run.bat
run.sh
20:10:32 (255972): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:10:32 (255972): 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\26\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\26\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
23:17:59 (255972): C:/Windows/system32/cmd.exe exited; CPU time 11294.656250
23:17:59 (255972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 234383958 bytes.
Dumping objects ->
{3835633} normal block at 0x00000206FD42CB20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835622} normal block at 0x00000206FD42C3B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835611} normal block at 0x00000206FD42C570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835600} normal block at 0x00000206FD42CF80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835589} normal block at 0x00000206FB7B4C00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835558} normal block at 0x00000206FD47A9F0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x00000206FD48BCB0, 85 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) : {3835544} normal block at 0x00000206FB7ADA80, 8 bytes long.
Data: < ·û > 00 00 B7 FB 06 02 00 00
{3834735} normal block at 0x00000206FD48BF30, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x00000206FB7AD940, 8 bytes long.
Data: <0×yû > 30 D7 79 FB 06 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000206FB7A2120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000206FB79F660, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000206FB7B5A90, 16 bytes long.
Data: <hd{û > 68 64 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000206FB7B5950, 16 bytes long.
Data: <@d{û > 40 64 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000206FB7AF430, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000206FB7B58B0, 16 bytes long.
Data: < d{û > 18 64 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000206FB7B5860, 16 bytes long.
Data: <ðc{û > F0 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000206FB7B56D0, 16 bytes long.
Data: <Èc{û > C8 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000206FB7B5A40, 16 bytes long.
Data: < c{û > A0 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000206FB7B45E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000206FB7B5FE0, 16 bytes long.
Data: <è´yû > E8 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000206FB7AF6D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000206FB7B5680, 16 bytes long.
Data: <À´yû > C0 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000206FB7B5360, 16 bytes long.
Data: < ´yû > 98 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000206FB7B5D60, 16 bytes long.
Data: <p´yû > 70 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000206FB7B5310, 16 bytes long.
Data: <H´yû > 48 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000206FB7B52C0, 16 bytes long.
Data: < ´yû > 20 B4 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000206FB7B5810, 16 bytes long.
Data: <ø³yû > F8 B3 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000206FB7AFA30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000206FB7B5DB0, 16 bytes long.
Data: <гyû > D0 B3 79 FB 06 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000206FB79B3D0, 320 bytes long.
Data: <°]{û 0úzû > B0 5D 7B FB 06 02 00 00 30 FA 7A FB 06 02 00 00
{280} normal block at 0x00000206FB7B59A0, 16 bytes long.
Data: < c{û > 80 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000206FB7B5180, 16 bytes long.
Data: <Xc{û > 58 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000206FB7AFCD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000206FB7B57C0, 16 bytes long.
Data: <0c{û > 30 63 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000206FB7AFC70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000206FB7B59F0, 16 bytes long.
Data: <xb{û > 78 62 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000206FB7B5630, 16 bytes long.
Data: <Pb{û > 50 62 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000206FB7B54A0, 16 bytes long.
Data: <(b{û > 28 62 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000206FB7B5900, 16 bytes long.
Data: < b{û > 00 62 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000206FB7B5F90, 16 bytes long.
Data: <Øa{û > D8 61 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000206FB7B5EF0, 16 bytes long.
Data: <°a{û > B0 61 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000206FB7B6030, 16 bytes long.
Data: <`I{û > 60 49 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000206FB7B4960, 40 bytes long.
Data: <0`{û ð©Gý > 30 60 7B FB 06 02 00 00 F0 A9 47 FD 06 02 00 00
{266} normal block at 0x00000206FB7B51D0, 16 bytes long.
Data: < a{û > 90 61 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000206FB7B5770, 16 bytes long.
Data: <ha{û > 68 61 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000206FB7AF250, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000206FB7B5400, 16 bytes long.
Data: <@a{û > 40 61 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000206FB7B6140, 992 bytes long.
Data: < T{û Pòzû > 00 54 7B FB 06 02 00 00 50 F2 7A FB 06 02 00 00
{98} normal block at 0x00000206FB7AFC10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000206FB7ACFE0, 16 bytes long.
Data: <ðH{û > F0 48 7B FB 06 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000206FB7B48F0, 40 bytes long.
Data: <àÏzû üzû > E0 CF 7A FB 06 02 00 00 10 FC 7A FB 06 02 00 00
{75} normal block at 0x00000206FB7AD620, 16 bytes long.
Data: < êvVö > 80 EA 76 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000206FB7ADC10, 16 bytes long.
Data: <@évVö > 40 E9 76 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000206FB7ADBC0, 16 bytes long.
Data: <øWsVö > F8 57 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000206FB7AD6C0, 16 bytes long.
Data: <ØWsVö > D8 57 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000206FB7ADDF0, 16 bytes long.
Data: <P sVö > 50 04 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000206FB7AD710, 16 bytes long.
Data: <0 sVö > 30 04 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000206FB7ACEF0, 16 bytes long.
Data: <à sVö > E0 02 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000206FB7AD440, 16 bytes long.
Data: < sVö > 10 04 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000206FB7ACF40, 16 bytes long.
Data: <p sVö > 70 04 73 56 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000206FB7AD120, 16 bytes long.
Data: < ÀqVö > 18 C0 71 56 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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