Task 38581564
| Name | HIF2A_A41_A18_r0_2-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8536_0 |
| Workunit | 31546083 |
| Created | 12 Dec 2025, 10:52:24 UTC |
| Sent | 12 Dec 2025, 10:55:42 UTC |
| Report deadline | 17 Dec 2025, 10:55:42 UTC |
| Received | 13 Dec 2025, 7:59:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642296 |
| Run time | 3 hours 10 min 58 sec |
| CPU time | 3 hours 10 min 58 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,204.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 475.55 MB |
| Peak swap size | 8.03 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:32:10 (34828): wrapper (7.9.26016): starting
10:32:10 (34828): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A18_0.pdb
QB_A41_A18_0.xml
QB_A41_A18_equil.pdb
QB_A41_A18.inpcrd
QB_A41_A18_input.yaml
QB_A41_A18_mdlambda.pdb
QB_A41_A18_min.pdb
QB_A41_A18_npt.pdb
QB_A41_A18.pdb
QB_A41_A18.prmtop
QB_A41_A18_sys.xml
QB_A41_A18_therm.pdb
run.bat
run.sh
10:32:12 (34828): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:32:12 (34828): 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 'F:\BOINC\slots\10\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 'F:\BOINC\slots\10\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
13:46:16 (34828): C:/Windows/system32/cmd.exe exited; CPU time 11458.671875
13:46:16 (34828): 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: 265507225 bytes.
Dumping objects ->
{3835204} normal block at 0x000001FAB6DC8320, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835193} normal block at 0x000001FAB9988270, 32 bytes long.
Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835182} normal block at 0x000001FAB9988990, 32 bytes long.
Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835171} normal block at 0x000001FAB9988930, 32 bytes long.
Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835160} normal block at 0x000001FAB9988870, 32 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835129} normal block at 0x000001FAB6DC82B0, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835116} normal block at 0x000001FAB6DBC960, 8 bytes long.
Data: < ·ú > 00 00 05 B7 FA 01 00 00
{3833959} normal block at 0x000001FAB6DBD090, 8 bytes long.
Data: < L ¹ú > 80 4C 99 B9 FA 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FAB6DB2510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FAB6DB42A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001FAB6DC6E70, 16 bytes long.
Data: < ܶú > 18 80 DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FAB6DC6DD0, 16 bytes long.
Data: <ð ܶú > F0 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FAB6DC3180, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001FAB6DC74B0, 16 bytes long.
Data: <È Ü¶ú > C8 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FAB6DC6FB0, 16 bytes long.
Data: <  ܶú > A0 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FAB6DC6D80, 16 bytes long.
Data: <x ܶú > 78 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FAB6DC7BE0, 16 bytes long.
Data: <P ܶú > 50 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FAB6DC8630, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001FAB6DC7B90, 16 bytes long.
Data: <¸þÚ¶ú > B8 FE DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FAB6DC30C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001FAB6DC79B0, 16 bytes long.
Data: < þÚ¶ú > 90 FE DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FAB6DC7320, 16 bytes long.
Data: <hþÚ¶ú > 68 FE DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FAB6DC7000, 16 bytes long.
Data: <@þÚ¶ú > 40 FE DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FAB6DC7960, 16 bytes long.
Data: < þÚ¶ú > 18 FE DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FAB6DC6D30, 16 bytes long.
Data: <ðýÚ¶ú > F0 FD DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FAB6DC6E20, 16 bytes long.
Data: <ÈýÚ¶ú > C8 FD DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FAB6DC34E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001FAB6DC7910, 16 bytes long.
Data: < ýÚ¶ú > A0 FD DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FAB6DAFDA0, 320 bytes long.
Data: < yܶú à4ܶú > 10 79 DC B6 FA 01 00 00 E0 34 DC B6 FA 01 00 00
{275} normal block at 0x000001FAB6DC7500, 16 bytes long.
Data: <0 ܶú > 30 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FAB6DC7140, 16 bytes long.
Data: < ܶú > 08 7F DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FAB6DC3C60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001FAB6DC7B40, 16 bytes long.
Data: <à~ܶú > E0 7E DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FAB6DC3C00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001FAB6DC7050, 16 bytes long.
Data: <(~ܶú > 28 7E DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FAB6DC7690, 16 bytes long.
Data: < ~ܶú > 00 7E DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FAB6DC72D0, 16 bytes long.
Data: <Ø}ܶú > D8 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FAB6DC78C0, 16 bytes long.
Data: <°}ܶú > B0 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FAB6DC7A00, 16 bytes long.
Data: < }ܶú > 88 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FAB6DC70A0, 16 bytes long.
Data: <`}ܶú > 60 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FAB6DC7A50, 16 bytes long.
Data: <PŽÚ¶ú > 50 8E DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FAB6DA8E50, 40 bytes long.
Data: <Pzܶú °‚ܶú > 50 7A DC B6 FA 01 00 00 B0 82 DC B6 FA 01 00 00
{261} normal block at 0x000001FAB6DC7640, 16 bytes long.
Data: <@}ܶú > 40 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FAB6DC75A0, 16 bytes long.
Data: < }ܶú > 18 7D DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FAB6DC3900, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001FAB6DC7730, 16 bytes long.
Data: <ð|ܶú > F0 7C DC B6 FA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FAB6DC7CF0, 992 bytes long.
Data: <0wܶú 9ܶú > 30 77 DC B6 FA 01 00 00 00 39 DC B6 FA 01 00 00
{93} normal block at 0x000001FAB6DC3960, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001FAB6DBCAA0, 16 bytes long.
Data: <`ÿÚ¶ú > 60 FF DA B6 FA 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FAB6DAFF60, 40 bytes long.
Data: < ÊÛ¶ú `9ܶú > A0 CA DB B6 FA 01 00 00 60 39 DC B6 FA 01 00 00
{70} normal block at 0x000001FAB6DBD040, 16 bytes long.
Data: < êÕu÷ > 80 EA D5 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FAB6DBC6E0, 16 bytes long.
Data: <@éÕu÷ > 40 E9 D5 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FAB6DBCBE0, 16 bytes long.
Data: <øWÒu÷ > F8 57 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FAB6DBCFF0, 16 bytes long.
Data: <ØWÒu÷ > D8 57 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FAB6DBC870, 16 bytes long.
Data: <P Òu÷ > 50 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FAB6DBCD20, 16 bytes long.
Data: <0 Òu÷ > 30 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FAB6DBCA50, 16 bytes long.
Data: <à Òu÷ > E0 02 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FAB6DBCE60, 16 bytes long.
Data: < Òu÷ > 10 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FAB6DBC8C0, 16 bytes long.
Data: <p Òu÷ > 70 04 D2 75 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FAB6DBCD70, 16 bytes long.
Data: < ÀÐu÷ > 18 C0 D0 75 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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