Task 38583243
| Name | HIF2A_A26_A20_r0_3-QUICO_ATM_GAFF2_LOMAP_HIF2A-4-5-RND4023_0 |
| Workunit | 31547407 |
| Created | 13 Dec 2025, 23:23:41 UTC |
| Sent | 13 Dec 2025, 23:23:44 UTC |
| Report deadline | 18 Dec 2025, 23:23:44 UTC |
| Received | 14 Dec 2025, 16:55:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643413 |
| Run time | 3 hours 1 min 58 sec |
| CPU time | 2 hours 54 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,331.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 455.89 MB |
| Peak swap size | 6.54 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:24:37 (13012): wrapper (7.9.26016): starting
07:24:37 (13012): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A20_0.pdb
QB_A26_A20_0.xml
QB_A26_A20_equil.pdb
QB_A26_A20.inpcrd
QB_A26_A20_input.yaml
QB_A26_A20_mdlambda.pdb
QB_A26_A20_min.pdb
QB_A26_A20_npt.pdb
QB_A26_A20.pdb
QB_A26_A20.prmtop
QB_A26_A20_sys.xml
QB_A26_A20_therm.pdb
run.bat
run.sh
07:24:38 (13012): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:24:38 (13012): 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
10:25:51 (13012): C:/Windows/system32/cmd.exe exited; CPU time 10461.796875
10:25:51 (13012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 153766631 bytes.
Dumping objects ->
{3835566} normal block at 0x0000026E14C94540, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835555} normal block at 0x0000026E14C94690, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835544} normal block at 0x0000026E14C94460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835533} normal block at 0x0000026E14C945B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835522} normal block at 0x0000026E14C940E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835491} normal block at 0x0000026E16859AA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x0000026E14D6E190, 235 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) : {3835477} normal block at 0x0000026E14C8E580, 8 bytes long.
Data: < Æ n > 00 00 C6 14 6E 02 00 00
{3834701} normal block at 0x0000026E14C94E80, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x0000026E14C8E850, 8 bytes long.
Data: <Ðßs n > D0 DF 73 16 6E 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000026E14C820A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026E14C82A40, 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 0x0000026E14C95490, 16 bytes long.
Data: < É n > 98 07 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026E14C96070, 16 bytes long.
Data: <p É n > 70 07 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026E14C913B0, 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 0x0000026E14C95440, 16 bytes long.
Data: <H É n > 48 07 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026E14C953A0, 16 bytes long.
Data: < É n > 20 07 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026E14C95EE0, 16 bytes long.
Data: <ø É n > F8 06 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026E14C95E40, 16 bytes long.
Data: <Ð É n > D0 06 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026E14C7C310, 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 0x0000026E14C95760, 16 bytes long.
Data: <èýÇ n > E8 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026E14C91830, 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 0x0000026E14C95FD0, 16 bytes long.
Data: <ÀýÇ n > C0 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026E14C95F80, 16 bytes long.
Data: < ýÇ n > 98 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026E14C95260, 16 bytes long.
Data: <pýÇ n > 70 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026E14C95BC0, 16 bytes long.
Data: <HýÇ n > 48 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026E14C953F0, 16 bytes long.
Data: < ýÇ n > 20 FD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026E14C95B20, 16 bytes long.
Data: <øüÇ n > F8 FC C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026E14C91EF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000026E14C95DA0, 16 bytes long.
Data: <ÐüÇ n > D0 FC C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026E14C7FCD0, 320 bytes long.
Data: < ]É n ð É n > A0 5D C9 14 6E 02 00 00 F0 1E C9 14 6E 02 00 00
{272} normal block at 0x0000026E14C95AD0, 16 bytes long.
Data: <° É n > B0 06 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026E14C95D50, 16 bytes long.
Data: < É n > 88 06 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026E14C91CB0, 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 0x0000026E14C95350, 16 bytes long.
Data: <` É n > 60 06 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026E14C91050, 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 0x0000026E14C954E0, 16 bytes long.
Data: <¨ É n > A8 05 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026E14C951C0, 16 bytes long.
Data: < É n > 80 05 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026E14C95A30, 16 bytes long.
Data: <X É n > 58 05 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026E14C95A80, 16 bytes long.
Data: <0 É n > 30 05 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026E14C95580, 16 bytes long.
Data: < É n > 08 05 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026E14C95300, 16 bytes long.
Data: <à É n > E0 04 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026E14C95DF0, 16 bytes long.
Data: <0½Ç n > 30 BD C7 14 6E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026E14C7BD30, 40 bytes long.
Data: <ð]É n  š… n > F0 5D C9 14 6E 02 00 00 A0 9A 85 16 6E 02 00 00
{258} normal block at 0x0000026E14C959E0, 16 bytes long.
Data: <À É n > C0 04 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026E14C95530, 16 bytes long.
Data: < É n > 98 04 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026E14C91350, 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 0x0000026E14C95990, 16 bytes long.
Data: <p É n > 70 04 C9 14 6E 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000026E14C90470, 992 bytes long.
Data: < YÉ n P É n > 90 59 C9 14 6E 02 00 00 50 13 C9 14 6E 02 00 00
{90} normal block at 0x0000026E14C91BF0, 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 0x0000026E14C8E1C0, 16 bytes long.
Data: < È n > 00 0A C8 14 6E 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000026E14C80A00, 40 bytes long.
Data: <ÀáÈ n ð É n > C0 E1 C8 14 6E 02 00 00 F0 1B C9 14 6E 02 00 00
{67} normal block at 0x0000026E14C8DEA0, 16 bytes long.
Data: < êè ö > 80 EA E8 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026E14C8E120, 16 bytes long.
Data: <@éè ö > 40 E9 E8 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026E14C8E030, 16 bytes long.
Data: <øWå ö > F8 57 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026E14C8DD60, 16 bytes long.
Data: <ØWå ö > D8 57 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026E14C8E530, 16 bytes long.
Data: <P å ö > 50 04 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026E14C8E800, 16 bytes long.
Data: <0 å ö > 30 04 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026E14C8DCC0, 16 bytes long.
Data: <à å ö > E0 02 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026E14C8DEF0, 16 bytes long.
Data: < å ö > 10 04 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026E14C8E7B0, 16 bytes long.
Data: <p å ö > 70 04 E5 81 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026E14C8E760, 16 bytes long.
Data: < Àã ö > 18 C0 E3 81 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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