Task 38616374
| Name | HIF2A_2_A37_A07_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND3144_2 |
| Workunit | 31567452 |
| Created | 17 Apr 2026, 20:08:01 UTC |
| Sent | 17 Apr 2026, 20:08:25 UTC |
| Report deadline | 22 Apr 2026, 20:08:25 UTC |
| Received | 18 Apr 2026, 1:26:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643031 |
| Run time | 2 hours 50 min 25 sec |
| CPU time | 2 hours 40 min 22 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,746.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 445.21 MB |
| Peak swap size | 7.97 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
00:36:49 (23588): wrapper (7.9.26016): starting
00:36:49 (23588): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A07_0.pdb
QB_A37_A07_0.xml
QB_A37_A07.inpcrd
QB_A37_A07_input.yaml
QB_A37_A07.pdb
QB_A37_A07.prmtop
QB_A37_A07_sys.xml
run.bat
run.sh
00:36:52 (23588): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:36:52 (23588): 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\5\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\5\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
03:26:24 (23588): C:/Windows/system32/cmd.exe exited; CPU time 9622.343750
03:26:24 (23588): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 174192767 bytes.
Dumping objects ->
{3835464} normal block at 0x00000282CB790510, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835453} normal block at 0x00000282C9938700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835442} normal block at 0x00000282C9938310, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835431} normal block at 0x00000282C99385B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x00000282C99388C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835389} normal block at 0x00000282CB7DE590, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835378} normal block at 0x00000282CB7F19E0, 102 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) : {3835375} normal block at 0x00000282C992DA80, 8 bytes long.
Data: < úÉ‚ > 00 00 FA C9 82 02 00 00
{3834643} normal block at 0x00000282CB7F22D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x00000282C992E200, 8 bytes long.
Data: <`…†Ë‚ > 60 85 86 CB 82 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000282C9926200, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000282C9924B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000282C9939330, 16 bytes long.
Data: <¸œ“É‚ > B8 9C 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000282C9938C00, 16 bytes long.
Data: < œ“É‚ > 90 9C 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000282C9934BE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000282C9939920, 16 bytes long.
Data: <hœ“É‚ > 68 9C 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000282C99398D0, 16 bytes long.
Data: <@œ“É‚ > 40 9C 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000282C99396A0, 16 bytes long.
Data: < œ“É‚ > 18 9C 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000282C9939290, 16 bytes long.
Data: <ð›“É‚ > F0 9B 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000282C9938620, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000282C9939240, 16 bytes long.
Data: <X/’É‚ > 58 2F 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000282C9934CA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000282C99390B0, 16 bytes long.
Data: <0/’É‚ > 30 2F 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000282C9938F70, 16 bytes long.
Data: < /’É‚ > 08 2F 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000282C99395B0, 16 bytes long.
Data: <à.’É‚ > E0 2E 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000282C99389D0, 16 bytes long.
Data: <¸.’É‚ > B8 2E 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000282C9938AC0, 16 bytes long.
Data: < .’É‚ > 90 2E 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000282C9938B10, 16 bytes long.
Data: <h.’É‚ > 68 2E 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000282C9934640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000282C9938CA0, 16 bytes long.
Data: <@.’É‚ > 40 2E 92 C9 82 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000282C9922E40, 320 bytes long.
Data: < Œ“É‚ @F“É‚ > A0 8C 93 C9 82 02 00 00 40 46 93 C9 82 02 00 00
{268} normal block at 0x00000282C9938C50, 16 bytes long.
Data: <Л“É‚ > D0 9B 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000282C9938F20, 16 bytes long.
Data: <¨›“É‚ > A8 9B 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000282C9934DC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000282C9939010, 16 bytes long.
Data: < ›“É‚ > 80 9B 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000282C99349A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000282C99394C0, 16 bytes long.
Data: <Èš“É‚ > C8 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000282C99391A0, 16 bytes long.
Data: < š“É‚ > A0 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000282C9939470, 16 bytes long.
Data: <xš“É‚ > 78 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000282C9938E80, 16 bytes long.
Data: <Pš“É‚ > 50 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000282C9938FC0, 16 bytes long.
Data: <(š“É‚ > 28 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000282C9938DE0, 16 bytes long.
Data: < š“É‚ > 00 9A 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000282C9939150, 16 bytes long.
Data: <À “É‚ > C0 81 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000282C99381C0, 40 bytes long.
Data: <P‘“É‚ å}Ë‚ > 50 91 93 C9 82 02 00 00 90 E5 7D CB 82 02 00 00
{254} normal block at 0x00000282C9939650, 16 bytes long.
Data: <à “É‚ > E0 99 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000282C9939600, 16 bytes long.
Data: <¸ “É‚ > B8 99 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000282C99347C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000282C9939100, 16 bytes long.
Data: < “É‚ > 90 99 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000282C9939990, 992 bytes long.
Data: < ‘“É‚ ÀG“É‚ > 00 91 93 C9 82 02 00 00 C0 47 93 C9 82 02 00 00
{86} normal block at 0x00000282C9934940, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000282C992DEE0, 16 bytes long.
Data: <Є“É‚ > D0 84 93 C9 82 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000282C99384D0, 40 bytes long.
Data: <àÞ’É‚ @I“É‚ > E0 DE 92 C9 82 02 00 00 40 49 93 C9 82 02 00 00
{63} normal block at 0x00000282C992DAD0, 16 bytes long.
Data: < êq ö > 80 EA 71 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000282C992E480, 16 bytes long.
Data: <@éq ö > 40 E9 71 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000282C992DE90, 16 bytes long.
Data: <øWn ö > F8 57 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000282C992E160, 16 bytes long.
Data: <ØWn ö > D8 57 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000282C992DA30, 16 bytes long.
Data: <P n ö > 50 04 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000282C992DDA0, 16 bytes long.
Data: <0 n ö > 30 04 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000282C992DC60, 16 bytes long.
Data: <à n ö > E0 02 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000282C992DD50, 16 bytes long.
Data: < n ö > 10 04 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000282C992DCB0, 16 bytes long.
Data: <p n ö > 70 04 6E 05 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000282C992E8E0, 16 bytes long.
Data: < Àl ö > 18 C0 6C 05 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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