Task 38608865
| Name | hif2a_A34_A04_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND2588_1 |
| Workunit | 31561783 |
| Created | 14 Apr 2026, 19:05:47 UTC |
| Sent | 14 Apr 2026, 19:05:49 UTC |
| Report deadline | 19 Apr 2026, 19:05:49 UTC |
| Received | 15 Apr 2026, 0:24:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 598225 |
| Run time | 4 hours 32 min 7 sec |
| CPU time | 4 hours 31 min 52 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,948.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 446.41 MB |
| Peak swap size | 6.49 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:50:38 (60208): wrapper (7.9.26016): starting
15:50:38 (60208): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A04_0.pdb
QB_A34_A04_0.xml
QB_A34_A04.inpcrd
QB_A34_A04_input.yaml
QB_A34_A04.pdb
QB_A34_A04.prmtop
QB_A34_A04_sys.xml
run.bat
run.sh
15:50:39 (60208): Library/usr/bin/tar.exe exited; CPU time 0.031250
15:50:39 (60208): 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
20:23:09 (60208): C:/Windows/system32/cmd.exe exited; CPU time 16311.984375
20:23:09 (60208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 bytes in 8 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: 261726197 bytes.
Dumping objects ->
{3835316} normal block at 0x000001C48C2BAFB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x000001C48C295440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x000001C48C2951A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835283} normal block at 0x000001C48C2950C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001C48C295050, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835241} normal block at 0x000001C48DEC6AA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001C48C28A900, 201 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) : {3835227} normal block at 0x000001C48C28D4F0, 8 bytes long.
Data: < b΀ > 00 00 62 8C C4 01 00 00
{3834584} normal block at 0x000001C48C28AD40, 201 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001C48C28DBD0, 8 bytes long.
Data: <ÀÙ'ŒÄ > C0 D9 27 8C C4 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001C48C2812B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C48C281E10, 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 0x000001C48C295F80, 16 bytes long.
Data: < m)΀ > 18 6D 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C48C2966B0, 16 bytes long.
Data: <ðl)ŒÄ > F0 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C48C291320, 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 0x000001C48C2965C0, 16 bytes long.
Data: <Èl)ŒÄ > C8 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C48C296520, 16 bytes long.
Data: < l)ŒÄ > A0 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C48C296020, 16 bytes long.
Data: <xl)΀ > 78 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C48C2963E0, 16 bytes long.
Data: <Pl)΀ > 50 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C48C2952F0, 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 0x000001C48C295BC0, 16 bytes long.
Data: < õ'ŒÄ > 18 F5 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C48C291A40, 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 0x000001C48C2962F0, 16 bytes long.
Data: <ðô'ŒÄ > F0 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C48C295DF0, 16 bytes long.
Data: <Èô'ŒÄ > C8 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C48C296980, 16 bytes long.
Data: <ʙ'΀ > A0 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C48C295C60, 16 bytes long.
Data: <xô'ŒÄ > 78 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C48C296480, 16 bytes long.
Data: <Pô'ŒÄ > 50 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C48C296070, 16 bytes long.
Data: <(ô'ŒÄ > 28 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C48C2917A0, 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 0x000001C48C295B20, 16 bytes long.
Data: < ô'ŒÄ > 00 F4 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C48C27F400, 320 bytes long.
Data: < [)ŒÄ   )ŒÄ > 20 5B 29 8C C4 01 00 00 A0 17 29 8C C4 01 00 00
{275} normal block at 0x000001C48C295DA0, 16 bytes long.
Data: <0l)΀ > 30 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C48C295CB0, 16 bytes long.
Data: < l)΀ > 08 6C 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C48C291380, 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 0x000001C48C2962A0, 16 bytes long.
Data: <àk)ŒÄ > E0 6B 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C48C291DA0, 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 0x000001C48C296430, 16 bytes long.
Data: <(k)΀ > 28 6B 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C48C295D00, 16 bytes long.
Data: < k)΀ > 00 6B 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C48C296750, 16 bytes long.
Data: <Øj)ŒÄ > D8 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C48C295AD0, 16 bytes long.
Data: <°j)ŒÄ > B0 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C48C2964D0, 16 bytes long.
Data: < j)΀ > 88 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C48C2961B0, 16 bytes long.
Data: <`j)΀ > 60 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C48C2967F0, 16 bytes long.
Data: < R)΀ > 10 52 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C48C295210, 40 bytes long.
Data: <ðg)ŒÄ  jì Ä > F0 67 29 8C C4 01 00 00 A0 6A EC 8D C4 01 00 00
{261} normal block at 0x000001C48C295B70, 16 bytes long.
Data: <@j)΀ > 40 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C48C296570, 16 bytes long.
Data: < j)΀ > 18 6A 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C48C2912C0, 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 0x000001C48C295E90, 16 bytes long.
Data: <ði)ŒÄ > F0 69 29 8C C4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C48C2969F0, 992 bytes long.
Data: < ^)ŒÄ À )ŒÄ > 90 5E 29 8C C4 01 00 00 C0 12 29 8C C4 01 00 00
{93} normal block at 0x000001C48C2915C0, 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 0x000001C48C28D9F0, 16 bytes long.
Data: <Pæ'ŒÄ > 50 E6 27 8C C4 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001C48C27E650, 40 bytes long.
Data: <ðÙ(ŒÄ À )ŒÄ > F0 D9 28 8C C4 01 00 00 C0 15 29 8C C4 01 00 00
{70} normal block at 0x000001C48C28E030, 16 bytes long.
Data: < êj ö > 80 EA 6A 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C48C28DDB0, 16 bytes long.
Data: <@éj ö > 40 E9 6A 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C48C28D270, 16 bytes long.
Data: <øWg ö > F8 57 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C48C28E080, 16 bytes long.
Data: <ØWg ö > D8 57 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C48C28DEA0, 16 bytes long.
Data: <P g ö > 50 04 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C48C28D680, 16 bytes long.
Data: <0 g ö > 30 04 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C48C28D220, 16 bytes long.
Data: <à g ö > E0 02 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C48C28DFE0, 16 bytes long.
Data: < g ö > 10 04 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C48C28D3B0, 16 bytes long.
Data: <p g ö > 70 04 67 15 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C48C28DD60, 16 bytes long.
Data: < Àe ö > 18 C0 65 15 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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