Task 38581398
| Name | HIF2A_A20_A37_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND6791_0 |
| Workunit | 31545922 |
| Created | 12 Dec 2025, 10:46:59 UTC |
| Sent | 12 Dec 2025, 10:47:34 UTC |
| Report deadline | 17 Dec 2025, 10:47:34 UTC |
| Received | 12 Dec 2025, 17:23:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 5 hours 33 min 48 sec |
| CPU time | 5 hours 33 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 82,584.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 495.66 MB |
| Peak swap size | 12.80 GB |
| Peak disk usage | 4.12 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:58:26 (10900): wrapper (7.9.26016): starting
04:58:26 (10900): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A37_0.pdb
QB_A20_A37_0.xml
QB_A20_A37_equil.pdb
QB_A20_A37.inpcrd
QB_A20_A37_input.yaml
QB_A20_A37_mdlambda.pdb
QB_A20_A37_min.pdb
QB_A20_A37_npt.pdb
QB_A20_A37.pdb
QB_A20_A37.prmtop
QB_A20_A37_sys.xml
QB_A20_A37_therm.pdb
run.bat
run.sh
04:58:27 (10900): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:58:27 (10900): 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 'M:\BOINC\slots\8\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 'M:\BOINC\slots\8\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
11:01:21 (10900): C:/Windows/system32/cmd.exe exited; CPU time 20230.265625
11:01:21 (10900): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 405220731 bytes.
Dumping objects ->
{3835538} normal block at 0x000001AEB8FA6000, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835527} normal block at 0x000001AEBADA81E0, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835516} normal block at 0x000001AEBADA8360, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835505} normal block at 0x000001AEBADA7E80, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835494} normal block at 0x000001AEBADA8420, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835463} normal block at 0x000001AEB8FA5EB0, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835450} normal block at 0x000001AEB8F9E920, 8 bytes long.
Data: < a¹® > 00 00 61 B9 AE 01 00 00
{3833967} normal block at 0x000001AEB8F9E6F0, 8 bytes long.
Data: < ³ü¸® > A0 B3 FC B8 AE 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001AEB8F91320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001AEB8F91B70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001AEB8FA6900, 16 bytes long.
Data: <Èxú¸® > C8 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001AEB8FA6950, 16 bytes long.
Data: < xú¸® > A0 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AEB8FA0B00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001AEB8FA68B0, 16 bytes long.
Data: <xxú¸® > 78 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AEB8FA6860, 16 bytes long.
Data: <Pxú¸® > 50 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AEB8FA6B30, 16 bytes long.
Data: <(xú¸® > 28 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001AEB8FA6C70, 16 bytes long.
Data: < xú¸® > 00 78 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AEB8FA60E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001AEB8FA6680, 16 bytes long.
Data: <xíø¸® > 78 ED F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AEB8FA08C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001AEB8FA7350, 16 bytes long.
Data: <Píø¸® > 50 ED F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AEB8FA6C20, 16 bytes long.
Data: <(íø¸® > 28 ED F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AEB8FA6630, 16 bytes long.
Data: < íø¸® > 00 ED F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AEB8FA7530, 16 bytes long.
Data: <Øìø¸® > D8 EC F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AEB8FA7080, 16 bytes long.
Data: <°ìø¸® > B0 EC F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AEB8FA73F0, 16 bytes long.
Data: < ìø¸® > 88 EC F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AEB8FA09E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001AEB8FA65E0, 16 bytes long.
Data: <`ìø¸® > 60 EC F8 B8 AE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AEB8F8EC60, 320 bytes long.
Data: <àeú¸® à ú¸® > E0 65 FA B8 AE 01 00 00 E0 09 FA B8 AE 01 00 00
{279} normal block at 0x000001AEB8FA74E0, 16 bytes long.
Data: <àwú¸® > E0 77 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AEB8FA73A0, 16 bytes long.
Data: <¸wú¸® > B8 77 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AEB8FA02C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001AEB8FA72B0, 16 bytes long.
Data: < wú¸® > 90 77 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AEB8FA0320, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001AEB8FA6810, 16 bytes long.
Data: <Øvú¸® > D8 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001AEB8FA6E50, 16 bytes long.
Data: <°vú¸® > B0 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AEB8FA6AE0, 16 bytes long.
Data: < vú¸® > 88 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001AEB8FA6E00, 16 bytes long.
Data: <`vú¸® > 60 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AEB8FA7490, 16 bytes long.
Data: <8vú¸® > 38 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AEB8FA6A40, 16 bytes long.
Data: < vú¸® > 10 76 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AEB8FA7030, 16 bytes long.
Data: < _ú¸® > 20 5F FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AEB8FA5F20, 40 bytes long.
Data: <0pú¸® °^ú¸® > 30 70 FA B8 AE 01 00 00 B0 5E FA B8 AE 01 00 00
{265} normal block at 0x000001AEB8FA69A0, 16 bytes long.
Data: <ðuú¸® > F0 75 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AEB8FA6F40, 16 bytes long.
Data: <Èuú¸® > C8 75 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AEB8FA0860, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001AEB8FA6770, 16 bytes long.
Data: < uú¸® > A0 75 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AEB8FA75A0, 992 bytes long.
Data: <pgú¸® ` ú¸® > 70 67 FA B8 AE 01 00 00 60 08 FA B8 AE 01 00 00
{97} normal block at 0x000001AEB8FA0380, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001AEB8F9E290, 16 bytes long.
Data: <p`ú¸® > 70 60 FA B8 AE 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001AEB8FA6070, 40 bytes long.
Data: < âù¸® ú¸® > 90 E2 F9 B8 AE 01 00 00 80 03 FA B8 AE 01 00 00
{74} normal block at 0x000001AEB8F9E6A0, 16 bytes long.
Data: < êÑ®ö > 80 EA D1 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001AEB8F9EDD0, 16 bytes long.
Data: <@éÑ®ö > 40 E9 D1 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001AEB8F9EE20, 16 bytes long.
Data: <øWήö > F8 57 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001AEB8F9E240, 16 bytes long.
Data: <ØWήö > D8 57 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AEB8F9E010, 16 bytes long.
Data: <P 먚 > 50 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AEB8F9E1F0, 16 bytes long.
Data: <0 먚 > 30 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AEB8F9E2E0, 16 bytes long.
Data: <à ήö > E0 02 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AEB8F9EA10, 16 bytes long.
Data: < 먚 > 10 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AEB8F9EBF0, 16 bytes long.
Data: <p 먚 > 70 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AEB8F9DFC0, 16 bytes long.
Data: < ÀÌ®ö > 18 C0 CC AE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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