Task 38582490
| Name | HIF2A_A07_A04_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND9220_0 |
| Workunit | 31546798 |
| Created | 13 Dec 2025, 6:03:56 UTC |
| Sent | 13 Dec 2025, 6:04:05 UTC |
| Report deadline | 18 Dec 2025, 6:04:05 UTC |
| Received | 13 Dec 2025, 13:32:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639215 |
| Run time | 7 hours 4 min 55 sec |
| CPU time | 6 hours 37 min 34 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,608.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 466.77 MB |
| Peak swap size | 8.04 GB |
| Peak disk usage | 3.29 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:20:22 (62500): wrapper (7.9.26016): starting
01:20:22 (62500): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A04_0.pdb
QB_A07_A04_0.xml
QB_A07_A04_equil.pdb
QB_A07_A04.inpcrd
QB_A07_A04_input.yaml
QB_A07_A04_mdlambda.pdb
QB_A07_A04_min.pdb
QB_A07_A04_npt.pdb
QB_A07_A04.pdb
QB_A07_A04.prmtop
QB_A07_A04_sys.xml
QB_A07_A04_therm.pdb
run.bat
run.sh
01:20:24 (62500): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:20:24 (62500): 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\0\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\0\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
08:22:53 (62500): C:/Windows/system32/cmd.exe exited; CPU time 23854.312500
08:22:53 (62500): 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: 684845455 bytes.
Dumping objects ->
{3835378} normal block at 0x000002BCC3A964D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835367} normal block at 0x000002BCC3A96380, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835356} normal block at 0x000002BCC3A962A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835345} normal block at 0x000002BCC3A961C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835334} normal block at 0x000002BCC3A967E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835303} normal block at 0x000002BCC57E8F20, 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) : {3835290} normal block at 0x000002BCC3A8F180, 8 bytes long.
Data: < £Ã¼ > 00 00 A3 C3 BC 02 00 00
{3833943} normal block at 0x000002BCC3A8F630, 8 bytes long.
Data: < ê¶Ã¼ > 00 EA B6 C3 BC 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000002BCC3A832E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BCC3A84340, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x000002BCC3A96DF0, 16 bytes long.
Data: <('©Ã¼ > 28 27 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BCC3A96A30, 16 bytes long.
Data: < '©Ã¼ > 00 27 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BCC3A91C80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x000002BCC3A969E0, 16 bytes long.
Data: <Ø&©Ã¼ > D8 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BCC3A97160, 16 bytes long.
Data: <°&©Ã¼ > B0 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BCC3A971B0, 16 bytes long.
Data: < &©Ã¼ > 88 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BCC3A97480, 16 bytes long.
Data: <`&©Ã¼ > 60 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BCC3A96460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x000002BCC3A96D50, 16 bytes long.
Data: <(ê§Ã¼ > 28 EA A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BCC3A91A40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x000002BCC3A97110, 16 bytes long.
Data: < ê§Ã¼ > 00 EA A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BCC3A96CB0, 16 bytes long.
Data: <Øé§Ã¼ > D8 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BCC3A96990, 16 bytes long.
Data: <°é§Ã¼ > B0 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BCC3A97840, 16 bytes long.
Data: < é§Ã¼ > 88 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BCC3A96C60, 16 bytes long.
Data: <`é§Ã¼ > 60 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BCC3A96F30, 16 bytes long.
Data: <8é§Ã¼ > 38 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BCC3A91440, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x000002BCC3A96BC0, 16 bytes long.
Data: < é§Ã¼ > 10 E9 A7 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BCC3A7E910, 320 bytes long.
Data: <Àk©Ã¼ @ ©Ã¼ > C0 6B A9 C3 BC 02 00 00 40 14 A9 C3 BC 02 00 00
{267} normal block at 0x000002BCC3A97610, 16 bytes long.
Data: <@&©Ã¼ > 40 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BCC3A97660, 16 bytes long.
Data: < &©Ã¼ > 18 26 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BCC3A918C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x000002BCC3A977F0, 16 bytes long.
Data: <ð%©Ã¼ > F0 25 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BCC3A913E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x000002BCC3A96D00, 16 bytes long.
Data: <8%©Ã¼ > 38 25 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BCC3A96EE0, 16 bytes long.
Data: < %©Ã¼ > 10 25 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BCC3A973E0, 16 bytes long.
Data: <è$©Ã¼ > E8 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BCC3A97020, 16 bytes long.
Data: <À$©Ã¼ > C0 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BCC3A968F0, 16 bytes long.
Data: < $©Ã¼ > 98 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002BCC3A96B20, 16 bytes long.
Data: <p$©Ã¼ > 70 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002BCC3A975C0, 16 bytes long.
Data: <0b©Ã¼ > 30 62 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002BCC3A96230, 40 bytes long.
Data: <Àu©Ã¼ ~ż > C0 75 A9 C3 BC 02 00 00 20 8F 7E C5 BC 02 00 00
{253} normal block at 0x000002BCC3A970C0, 16 bytes long.
Data: <P$©Ã¼ > 50 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002BCC3A97390, 16 bytes long.
Data: <($©Ã¼ > 28 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002BCC3A91260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x000002BCC3A97340, 16 bytes long.
Data: < $©Ã¼ > 00 24 A9 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x000002BCC3A92400, 992 bytes long.
Data: <@s©Ã¼ ` ©Ã¼ > 40 73 A9 C3 BC 02 00 00 60 12 A9 C3 BC 02 00 00
{85} normal block at 0x000002BCC3A91140, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x000002BCC3A8F590, 16 bytes long.
Data: < ¨Ã¼ > 20 1B A8 C3 BC 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002BCC3A81B20, 40 bytes long.
Data: < õ¨Ã¼ @ ©Ã¼ > 90 F5 A8 C3 BC 02 00 00 40 11 A9 C3 BC 02 00 00
{62} normal block at 0x000002BCC3A8F130, 16 bytes long.
Data: < ê]Kö > 80 EA 5D 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BCC3A8F450, 16 bytes long.
Data: <@é]Kö > 40 E9 5D 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BCC3A8EF50, 16 bytes long.
Data: <øWZKö > F8 57 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002BCC3A8EE10, 16 bytes long.
Data: <ØWZKö > D8 57 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002BCC3A8F090, 16 bytes long.
Data: <P ZKö > 50 04 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002BCC3A8FB80, 16 bytes long.
Data: <0 ZKö > 30 04 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002BCC3A8EEB0, 16 bytes long.
Data: <à ZKö > E0 02 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002BCC3A8F040, 16 bytes long.
Data: < ZKö > 10 04 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002BCC3A8FC20, 16 bytes long.
Data: <p ZKö > 70 04 5A 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002BCC3A8ED70, 16 bytes long.
Data: < ÀXKö > 18 C0 58 4B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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