Task 38582108
| Name | HIF2A_A10_A38_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-1-5-RND8381_0 |
| Workunit | 31546473 |
| Created | 12 Dec 2025, 21:11:19 UTC |
| Sent | 12 Dec 2025, 21:11:21 UTC |
| Report deadline | 17 Dec 2025, 21:11:21 UTC |
| Received | 13 Dec 2025, 0:30:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630939 |
| Run time | 2 hours 58 min 53 sec |
| CPU time | 2 hours 58 min 53 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 35,918.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 473.91 MB |
| Peak swap size | 9.58 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:32:47 (26496): wrapper (7.9.26016): starting
16:32:47 (26496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A38_0.pdb
QB_A10_A38_0.xml
QB_A10_A38_equil.pdb
QB_A10_A38.inpcrd
QB_A10_A38_input.yaml
QB_A10_A38_mdlambda.pdb
QB_A10_A38_min.pdb
QB_A10_A38_npt.pdb
QB_A10_A38.pdb
QB_A10_A38.prmtop
QB_A10_A38_sys.xml
QB_A10_A38_therm.pdb
run.bat
run.sh
16:32:48 (26496): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:32:48 (26496): 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\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 'C:\ProgramData\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
19:29:44 (26496): C:/Windows/system32/cmd.exe exited; CPU time 10733.640625
19:29:44 (26496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 244782583 bytes.
Dumping objects ->
{3835603} normal block at 0x00000269CC224390, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835592} normal block at 0x00000269CC224A20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835581} normal block at 0x00000269CC2245C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835570} normal block at 0x00000269CC2248D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835559} normal block at 0x00000269CC224860, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835528} normal block at 0x00000269CDFC3C80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835515} normal block at 0x00000269CC21D290, 8 bytes long.
Data: < Ìi > 00 00 7F CC 69 02 00 00
{3833957} normal block at 0x00000269CC21D1F0, 8 bytes long.
Data: < ,ðÍi > 80 2C F0 CD 69 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000269CC211CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000269CC20F020, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000269CC225E30, 16 bytes long.
Data: < b"Ìi > 18 62 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000269CC225DE0, 16 bytes long.
Data: <ða"Ìi > F0 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000269CC221300, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000269CC225610, 16 bytes long.
Data: <Èa"Ìi > C8 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000269CC224F30, 16 bytes long.
Data: < a"Ìi > A0 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000269CC225D40, 16 bytes long.
Data: <xa"Ìi > 78 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000269CC225CF0, 16 bytes long.
Data: <Pa"Ìi > 50 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000269CC2249B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000269CC225CA0, 16 bytes long.
Data: <¨Þ Ìi > A8 DE 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000269CC220580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000269CC225520, 16 bytes long.
Data: < Þ Ìi > 80 DE 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000269CC2257A0, 16 bytes long.
Data: <XÞ Ìi > 58 DE 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000269CC2254D0, 16 bytes long.
Data: <0Þ Ìi > 30 DE 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000269CC225160, 16 bytes long.
Data: < Þ Ìi > 08 DE 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000269CC225070, 16 bytes long.
Data: <àÝ Ìi > E0 DD 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000269CC225480, 16 bytes long.
Data: <¸Ý Ìi > B8 DD 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000269CC2212A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000269CC225250, 16 bytes long.
Data: < Ý Ìi > 90 DD 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000269CC20DD90, 320 bytes long.
Data: <PR"Ìi   "Ìi > 50 52 22 CC 69 02 00 00 A0 12 22 CC 69 02 00 00
{274} normal block at 0x00000269CC225C00, 16 bytes long.
Data: <0a"Ìi > 30 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000269CC224FD0, 16 bytes long.
Data: < a"Ìi > 08 61 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000269CC2208E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000269CC225AC0, 16 bytes long.
Data: <à`"Ìi > E0 60 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000269CC220BE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000269CC2253E0, 16 bytes long.
Data: <(`"Ìi > 28 60 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000269CC225B60, 16 bytes long.
Data: < `"Ìi > 00 60 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000269CC2255C0, 16 bytes long.
Data: <Ø_"Ìi > D8 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000269CC225B10, 16 bytes long.
Data: <°_"Ìi > B0 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000269CC2250C0, 16 bytes long.
Data: < _"Ìi > 88 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000269CC2257F0, 16 bytes long.
Data: <`_"Ìi > 60 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000269CC225340, 16 bytes long.
Data: <pD"Ìi > 70 44 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000269CC224470, 40 bytes long.
Data: <@S"Ìi <üÍi > 40 53 22 CC 69 02 00 00 80 3C FC CD 69 02 00 00
{260} normal block at 0x00000269CC225430, 16 bytes long.
Data: <@_"Ìi > 40 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000269CC225A70, 16 bytes long.
Data: < _"Ìi > 18 5F 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000269CC220A00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000269CC225390, 16 bytes long.
Data: <ð^"Ìi > F0 5E 22 CC 69 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000269CC225EF0, 992 bytes long.
Data: < S"Ìi "Ìi > 90 53 22 CC 69 02 00 00 00 0A 22 CC 69 02 00 00
{92} normal block at 0x00000269CC221240, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000269CC21DA60, 16 bytes long.
Data: <Àû Ìi > C0 FB 20 CC 69 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000269CC20FBC0, 40 bytes long.
Data: <`Ú!Ìi @ "Ìi > 60 DA 21 CC 69 02 00 00 40 12 22 CC 69 02 00 00
{69} normal block at 0x00000269CC21D6F0, 16 bytes long.
Data: < êÜ ö > 80 EA DC 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000269CC21CC00, 16 bytes long.
Data: <@éÜ ö > 40 E9 DC 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000269CC21D560, 16 bytes long.
Data: <øWÙ ö > F8 57 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000269CC21D970, 16 bytes long.
Data: <ØWÙ ö > D8 57 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000269CC21D100, 16 bytes long.
Data: <P Ù ö > 50 04 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000269CC21CD40, 16 bytes long.
Data: <0 Ù ö > 30 04 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000269CC21CCF0, 16 bytes long.
Data: <à Ù ö > E0 02 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000269CC21D920, 16 bytes long.
Data: < Ù ö > 10 04 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000269CC21D8D0, 16 bytes long.
Data: <p Ù ö > 70 04 D9 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000269CC21D010, 16 bytes long.
Data: < À× ö > 18 C0 D7 0D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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