Task 38581307
| Name | HIF2A_A03_A42_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND4582_0 |
| Workunit | 31545833 |
| Created | 12 Dec 2025, 10:44:03 UTC |
| Sent | 12 Dec 2025, 10:44:19 UTC |
| Report deadline | 17 Dec 2025, 10:44:19 UTC |
| Received | 12 Dec 2025, 16:32:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 2 hours 15 min 21 sec |
| CPU time | 2 hours 15 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 30,034.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 488.98 MB |
| Peak swap size | 12.57 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:25:57 (17252): wrapper (7.9.26016): starting
15:25:57 (17252): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A03_A42_0.pdb
QB_A03_A42_0.xml
QB_A03_A42_equil.pdb
QB_A03_A42.inpcrd
QB_A03_A42_input.yaml
QB_A03_A42_mdlambda.pdb
QB_A03_A42_min.pdb
QB_A03_A42_npt.pdb
QB_A03_A42.pdb
QB_A03_A42.prmtop
QB_A03_A42_sys.xml
QB_A03_A42_therm.pdb
run.bat
run.sh
15:25:58 (17252): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:25:58 (17252): 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\3\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\3\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
17:35:49 (17252): C:/Windows/system32/cmd.exe exited; CPU time 8121.937500
17:35:49 (17252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 112838965 bytes.
Dumping objects ->
{3835329} normal block at 0x000001A4D1660C30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835318} normal block at 0x000001A4D16616B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x000001A4D1660AE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835296} normal block at 0x000001A4D16612C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835285} normal block at 0x000001A4D1660E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835254} normal block at 0x000001A4D170D3E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x000001A4CFB80E70, 160 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) : {3835240} normal block at 0x000001A4CFAA8890, 8 bytes long.
Data: < CѤ > 00 00 43 D1 A4 01 00 00
{3834598} normal block at 0x000001A4CFB812D0, 160 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 0x000001A4CFAA8B60, 8 bytes long.
Data: <Àl Ѥ > C0 6C 7F D1 A4 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A4CFAAE3D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001A4CFA9CB10, 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 0x000001A4CFAB4380, 16 bytes long.
Data: <ÈP«Ï¤ > C8 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001A4CFAB4330, 16 bytes long.
Data: < P«Ï¤ > A0 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001A4CFAAD250, 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 0x000001A4CFAB4420, 16 bytes long.
Data: <xP«Ï¤ > 78 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001A4CFAB42E0, 16 bytes long.
Data: <PP«Ï¤ > 50 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A4CFAB3E30, 16 bytes long.
Data: <(P«Ï¤ > 28 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001A4CFAB3DE0, 16 bytes long.
Data: < P«Ï¤ > 00 50 AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A4CFAAE8B0, 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 0x000001A4CFAB3F70, 16 bytes long.
Data: <è֩Ϥ > E8 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001A4CFAACEF0, 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 0x000001A4CFAB4150, 16 bytes long.
Data: <À֩Ϥ > C0 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A4CFAB3ED0, 16 bytes long.
Data: < ֩Ϥ > 98 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A4CFAB4740, 16 bytes long.
Data: <p֩Ϥ > 70 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A4CFAB4D30, 16 bytes long.
Data: <H֩Ϥ > 48 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A4CFAB4C90, 16 bytes long.
Data: < ֩Ϥ > 20 D6 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001A4CFAB4CE0, 16 bytes long.
Data: <øթϤ > F8 D5 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A4CFAAD6D0, 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 0x000001A4CFAB4B00, 16 bytes long.
Data: <ÐթϤ > D0 D5 A9 CF A4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A4CFA9D5D0, 320 bytes long.
Data: < K«Ï¤ Ð֪Ϥ > 00 4B AB CF A4 01 00 00 D0 D6 AA CF A4 01 00 00
{281} normal block at 0x000001A4CFAB4AB0, 16 bytes long.
Data: <àO«Ï¤ > E0 4F AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A4CFAB4100, 16 bytes long.
Data: <¸O«Ï¤ > B8 4F AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A4CFAAD610, 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 0x000001A4CFAB49C0, 16 bytes long.
Data: < O«Ï¤ > 90 4F AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001A4CFAADA90, 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 0x000001A4CFAB4A10, 16 bytes long.
Data: <ØN«Ï¤ > D8 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A4CFAB4970, 16 bytes long.
Data: <°N«Ï¤ > B0 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A4CFAB4A60, 16 bytes long.
Data: < N«Ï¤ > 88 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A4CFAB40B0, 16 bytes long.
Data: <`N«Ï¤ > 60 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A4CFAB48D0, 16 bytes long.
Data: <8N«Ï¤ > 38 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A4CFAB3F20, 16 bytes long.
Data: < N«Ï¤ > 10 4E AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A4CFAB4830, 16 bytes long.
Data: <ÐçªÏ¤ > D0 E7 AA CF A4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A4CFAAE7D0, 40 bytes long.
Data: <0H«Ï¤ àÓpѤ > 30 48 AB CF A4 01 00 00 E0 D3 70 D1 A4 01 00 00
{267} normal block at 0x000001A4CFAB46F0, 16 bytes long.
Data: <ðM«Ï¤ > F0 4D AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A4CFAB4920, 16 bytes long.
Data: <ÈM«Ï¤ > C8 4D AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A4CFAAD5B0, 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 0x000001A4CFAB4060, 16 bytes long.
Data: < M«Ï¤ > A0 4D AB CF A4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A4CFAB4DA0, 992 bytes long.
Data: <`@«Ï¤ °ÕªÏ¤ > 60 40 AB CF A4 01 00 00 B0 D5 AA CF A4 01 00 00
{99} normal block at 0x000001A4CFAAD3D0, 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 0x000001A4CFAA83E0, 16 bytes long.
Data: <PëªÏ¤ > 50 EB AA CF A4 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001A4CFAAEB50, 40 bytes long.
Data: <àƒªÏ¤ ÐӪϤ > E0 83 AA CF A4 01 00 00 D0 D3 AA CF A4 01 00 00
{76} normal block at 0x000001A4CFAA8390, 16 bytes long.
Data: < ê„øö > 80 EA 84 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001A4CFAA8B10, 16 bytes long.
Data: <@é„øö > 40 E9 84 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001A4CFAA8700, 16 bytes long.
Data: <øW øö > F8 57 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001A4CFAA8430, 16 bytes long.
Data: <ØW øö > D8 57 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001A4CFAA80C0, 16 bytes long.
Data: <P øö > 50 04 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001A4CFAA8840, 16 bytes long.
Data: <0 øö > 30 04 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001A4CFAA8CA0, 16 bytes long.
Data: <à øö > E0 02 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A4CFAA8930, 16 bytes long.
Data: < øö > 10 04 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A4CFAA87F0, 16 bytes long.
Data: <p øö > 70 04 81 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A4CFAA8750, 16 bytes long.
Data: < À øö > 18 C0 7F F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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