Task 38583562
| Name | HIF2A_A15_A10_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND0111_0 |
| Workunit | 31547661 |
| Created | 14 Dec 2025, 9:05:50 UTC |
| Sent | 14 Dec 2025, 9:05:55 UTC |
| Report deadline | 19 Dec 2025, 9:05:55 UTC |
| Received | 14 Dec 2025, 19:28:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644117 |
| Run time | 9 hours 34 min 23 sec |
| CPU time | 9 hours 1 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 3,039.81 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.84 MB |
| Peak swap size | 7.92 GB |
| Peak disk usage | 3.88 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
02:12:19 (33512): wrapper (7.9.26016): starting
02:12:19 (33512): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A10_0.pdb
QB_A15_A10_0.xml
QB_A15_A10_equil.pdb
QB_A15_A10.inpcrd
QB_A15_A10_input.yaml
QB_A15_A10_mdlambda.pdb
QB_A15_A10_min.pdb
QB_A15_A10_npt.pdb
QB_A15_A10.pdb
QB_A15_A10.prmtop
QB_A15_A10_sys.xml
QB_A15_A10_therm.pdb
run.bat
run.sh
02:12:24 (33512): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:12:24 (33512): 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\13\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\13\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
12:27:08 (33512): C:/Windows/system32/cmd.exe exited; CPU time 32460.109375
12:27:08 (33512): 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: 558866227 bytes.
Dumping objects ->
{3835501} normal block at 0x00000194C6C897B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x00000194C4F34940, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x00000194C4F34860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835468} normal block at 0x00000194C4F34BE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x00000194C4F348D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835426} normal block at 0x00000194C6C747C0, 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) : {3835413} normal block at 0x00000194C4F2F920, 8 bytes long.
Data: < —Æ” > 00 00 97 C6 94 01 00 00
{3833953} normal block at 0x00000194C4F2FB00, 8 bytes long.
Data: <Ð:ÍÆ” > D0 3A CD C6 94 01 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000194C4F20C50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000194C4F220D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000194C4F35DE0, 16 bytes long.
Data: <xfóÄ” > 78 66 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000194C4F357A0, 16 bytes long.
Data: <PfóÄ” > 50 66 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000194C4F31280, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000194C4F353E0, 16 bytes long.
Data: <(fóÄ” > 28 66 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000194C4F362E0, 16 bytes long.
Data: < fóÄ” > 00 66 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000194C4F360B0, 16 bytes long.
Data: <ØeóÄ” > D8 65 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000194C4F35E80, 16 bytes long.
Data: <°eóÄ” > B0 65 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000194C4F34A20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000194C4F35CF0, 16 bytes long.
Data: <øïñÄ” > F8 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000194C4F31220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000194C4F35700, 16 bytes long.
Data: <ÐïñÄ” > D0 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000194C4F35BB0, 16 bytes long.
Data: <¨ïñÄ” > A8 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000194C4F36060, 16 bytes long.
Data: < ïñÄ” > 80 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000194C4F35CA0, 16 bytes long.
Data: <XïñÄ” > 58 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000194C4F35B60, 16 bytes long.
Data: <0ïñÄ” > 30 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000194C4F35B10, 16 bytes long.
Data: < ïñÄ” > 08 EF F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000194C4F30740, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{274} normal block at 0x00000194C4F36010, 16 bytes long.
Data: <àîñÄ” > E0 EE F1 C4 94 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000194C4F1EEE0, 320 bytes long.
Data: < `óÄ” @ óÄ” > 10 60 F3 C4 94 01 00 00 40 07 F3 C4 94 01 00 00
{272} normal block at 0x00000194C4F354D0, 16 bytes long.
Data: < eóÄ” > 90 65 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000194C4F35F20, 16 bytes long.
Data: <heóÄ” > 68 65 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000194C4F30F20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000194C4F35AC0, 16 bytes long.
Data: <@eóÄ” > 40 65 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000194C4F30AA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000194C4F35610, 16 bytes long.
Data: < dóÄ” > 88 64 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000194C4F35ED0, 16 bytes long.
Data: <`dóÄ” > 60 64 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000194C4F36290, 16 bytes long.
Data: <8dóÄ” > 38 64 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000194C4F35A70, 16 bytes long.
Data: < dóÄ” > 10 64 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000194C4F35FC0, 16 bytes long.
Data: <ècóÄ” > E8 63 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000194C4F355C0, 16 bytes long.
Data: <ÀcóÄ” > C0 63 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000194C4F356B0, 16 bytes long.
Data: <0MóÄ” > 30 4D F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000194C4F34D30, 40 bytes long.
Data: <°VóÄ” ÀGÇÆ” > B0 56 F3 C4 94 01 00 00 C0 47 C7 C6 94 01 00 00
{258} normal block at 0x00000194C4F35C00, 16 bytes long.
Data: < cóÄ” > A0 63 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000194C4F35E30, 16 bytes long.
Data: <xcóÄ” > 78 63 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000194C4F304A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000194C4F35660, 16 bytes long.
Data: <PcóÄ” > 50 63 F3 C4 94 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000194C4F36350, 992 bytes long.
Data: <`VóÄ”   óÄ” > 60 56 F3 C4 94 01 00 00 A0 04 F3 C4 94 01 00 00
{90} normal block at 0x00000194C4F31160, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000194C4F300A0, 16 bytes long.
Data: <À òÄ” > C0 00 F2 C4 94 01 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000194C4F200C0, 40 bytes long.
Data: <  óÄ” ` óÄ” > A0 00 F3 C4 94 01 00 00 60 11 F3 C4 94 01 00 00
{67} normal block at 0x00000194C4F2FC40, 16 bytes long.
Data: < ê8 ö > 80 EA 38 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000194C4F2FBA0, 16 bytes long.
Data: <@é8 ö > 40 E9 38 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000194C4F2F8D0, 16 bytes long.
Data: <øW5 ö > F8 57 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000194C4F2FE20, 16 bytes long.
Data: <ØW5 ö > D8 57 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000194C4F2F790, 16 bytes long.
Data: <P 5 ö > 50 04 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000194C4F2FF10, 16 bytes long.
Data: <0 5 ö > 30 04 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000194C4F30000, 16 bytes long.
Data: <à 5 ö > E0 02 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000194C4F2FAB0, 16 bytes long.
Data: < 5 ö > 10 04 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000194C4F2F740, 16 bytes long.
Data: <p 5 ö > 70 04 35 19 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000194C4F2FD30, 16 bytes long.
Data: < À3 ö > 18 C0 33 19 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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