Task 38614725
| Name | HIF2A_2_A29_A37_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND0873_0 |
| Workunit | 31567086 |
| Created | 17 Apr 2026, 13:43:28 UTC |
| Sent | 17 Apr 2026, 13:46:22 UTC |
| Report deadline | 22 Apr 2026, 13:46:22 UTC |
| Received | 17 Apr 2026, 16:40:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642776 |
| Run time | 2 hours 54 min 14 sec |
| CPU time | 2 hours 55 min 51 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 31,078.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 478.16 MB |
| Peak swap size | 12.62 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:48:10 (25520): wrapper (7.9.26016): starting
15:48:10 (25520): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A37_0.pdb
QB_A29_A37_0.xml
QB_A29_A37.inpcrd
QB_A29_A37_input.yaml
QB_A29_A37.pdb
QB_A29_A37.prmtop
QB_A29_A37_sys.xml
run.bat
run.sh
15:48:12 (25520): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:12 (25520): 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\4\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\4\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
18:40:12 (25520): C:/Windows/system32/cmd.exe exited; CPU time 10551.140625
18:40:12 (25520): 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: 161500483 bytes.
Dumping objects ->
{3835318} normal block at 0x00000210BA50D9A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x00000210BA50DA80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x00000210BA50E500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835285} normal block at 0x00000210BA50E260, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835274} normal block at 0x00000210B7E64C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835243} normal block at 0x00000210BA55A030, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835232} normal block at 0x00000210BA56F660, 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) : {3835229} normal block at 0x00000210B7E59D80, 8 bytes long.
Data: < ã· > 00 00 E3 B7 10 02 00 00
{3834583} normal block at 0x00000210BA56F190, 102 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 0x00000210B7E59510, 8 bytes long.
Data: <°Ÿè· > B0 9F E8 B7 10 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000210B7E51000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000210B7E5A8E0, 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 0x00000210B7E66D10, 16 bytes long.
Data: <Xuæ· > 58 75 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000210B7E67170, 16 bytes long.
Data: <0uæ· > 30 75 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000210B7E61F60, 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 0x00000210B7E66C20, 16 bytes long.
Data: < uæ· > 08 75 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000210B7E66590, 16 bytes long.
Data: <àtæ· > E0 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000210B7E669F0, 16 bytes long.
Data: <¸tæ· > B8 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000210B7E66680, 16 bytes long.
Data: < tæ· > 90 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000210B7E64E80, 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 0x00000210B7E664F0, 16 bytes long.
Data: <x å· > 78 07 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000210B7E62B60, 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 0x00000210B7E67120, 16 bytes long.
Data: <P å· > 50 07 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000210B7E66450, 16 bytes long.
Data: <( å· > 28 07 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000210B7E670D0, 16 bytes long.
Data: < å· > 00 07 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000210B7E66F90, 16 bytes long.
Data: <Ø å· > D8 06 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000210B7E663B0, 16 bytes long.
Data: <° å· > B0 06 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000210B7E66C70, 16 bytes long.
Data: < å· > 88 06 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000210B7E62D40, 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 0x00000210B7E662C0, 16 bytes long.
Data: <` å· > 60 06 E5 B7 10 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000210B7E50660, 320 bytes long.
Data: <Àbæ· @-æ· > C0 62 E6 B7 10 02 00 00 40 2D E6 B7 10 02 00 00
{280} normal block at 0x00000210B7E66EA0, 16 bytes long.
Data: <ptæ· > 70 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000210B7E66270, 16 bytes long.
Data: <Htæ· > 48 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000210B7E62680, 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 0x00000210B7E67080, 16 bytes long.
Data: < tæ· > 20 74 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000210B7E62AA0, 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 0x00000210B7E66360, 16 bytes long.
Data: <hsæ· > 68 73 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000210B7E66F40, 16 bytes long.
Data: <@sæ· > 40 73 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000210B7E665E0, 16 bytes long.
Data: < sæ· > 18 73 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000210B7E66E00, 16 bytes long.
Data: <ðræ· > F0 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000210B7E671C0, 16 bytes long.
Data: <Èræ· > C8 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000210B7E66E50, 16 bytes long.
Data: < ræ· > A0 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000210B7E66D60, 16 bytes long.
Data: < Næ· > 10 4E E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000210B7E64E10, 40 bytes long.
Data: <`mæ· 0 Uº > 60 6D E6 B7 10 02 00 00 30 A0 55 BA 10 02 00 00
{266} normal block at 0x00000210B7E66900, 16 bytes long.
Data: < ræ· > 80 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000210B7E66DB0, 16 bytes long.
Data: <Xræ· > 58 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000210B7E62C80, 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 0x00000210B7E66950, 16 bytes long.
Data: <0ræ· > 30 72 E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000210B7E67230, 992 bytes long.
Data: <Piæ· ,æ· > 50 69 E6 B7 10 02 00 00 80 2C E6 B7 10 02 00 00
{98} normal block at 0x00000210B7E626E0, 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 0x00000210B7E59380, 16 bytes long.
Data: < Kæ· > 00 4B E6 B7 10 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000210B7E64B00, 40 bytes long.
Data: < “å· à&æ· > 80 93 E5 B7 10 02 00 00 E0 26 E6 B7 10 02 00 00
{75} normal block at 0x00000210B7E596A0, 16 bytes long.
Data: < êV-ö > 80 EA 56 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000210B7E590B0, 16 bytes long.
Data: <@éV-ö > 40 E9 56 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000210B7E59290, 16 bytes long.
Data: <øWS-ö > F8 57 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000210B7E595B0, 16 bytes long.
Data: <ØWS-ö > D8 57 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000210B7E59D30, 16 bytes long.
Data: <P S-ö > 50 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000210B7E59560, 16 bytes long.
Data: <0 S-ö > 30 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000210B7E59C40, 16 bytes long.
Data: <à S-ö > E0 02 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000210B7E59CE0, 16 bytes long.
Data: < S-ö > 10 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000210B7E59C90, 16 bytes long.
Data: <p S-ö > 70 04 53 2D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000210B7E59920, 16 bytes long.
Data: < ÀQ-ö > 18 C0 51 2D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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