Task 38616453
| Name | p38_2_A27_A17_r0_3-QUICO_ATM_GAFF2_NAGL_p38_2-1-6-RND9785_0 |
| Workunit | 31568333 |
| Created | 17 Apr 2026, 20:38:49 UTC |
| Sent | 17 Apr 2026, 20:38:56 UTC |
| Report deadline | 22 Apr 2026, 20:38:56 UTC |
| Received | 18 Apr 2026, 4:01:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648332 |
| Run time | 7 hours 16 min 41 sec |
| CPU time | 7 hours 16 min 41 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 23,714.37 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.29 MB |
| Peak swap size | 8.43 GB |
| Peak disk usage | 3.09 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:44:37 (45944): wrapper (7.9.26016): starting
16:44:37 (45944): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A17_0.pdb
QB_A27_A17_0.xml
QB_A27_A17.inpcrd
QB_A27_A17_input.yaml
QB_A27_A17.pdb
QB_A27_A17.prmtop
QB_A27_A17_sys.xml
run.bat
run.sh
16:44:40 (45944): Library/usr/bin/tar.exe exited; CPU time 0.046875
16:44:40 (45944): 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
00:00:00 (45944): C:/Windows/system32/cmd.exe exited; CPU time 26201.250000
00:00:00 (45944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 543926813 bytes.
Dumping objects ->
{3835219} normal block at 0x000001F022864E00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000001F022864D90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001F022864D20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x000001F022864B60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001F022864AF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x000001F0246A4880, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000001F0246BDF90, 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) : {3835130} normal block at 0x000001F02285DBA0, 8 bytes long.
Data: < ƒ"ð > 00 00 83 22 F0 01 00 00
{3834528} normal block at 0x000001F0246BE040, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001F02285CED0, 8 bytes long.
Data: <À=p$ð > C0 3D 70 24 F0 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F022850EB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F0228523A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001F022866080, 16 bytes long.
Data: <(h†"ð > 28 68 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F022866120, 16 bytes long.
Data: < h†"ð > 00 68 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F022860DD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001F022866030, 16 bytes long.
Data: <Øg†"ð > D8 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F022866490, 16 bytes long.
Data: <°g†"ð > B0 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F022865C20, 16 bytes long.
Data: < g†"ð > 88 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F022865D60, 16 bytes long.
Data: <`g†"ð > 60 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F022864C40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001F022865BD0, 16 bytes long.
Data: <ø …"ð > F8 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F022861070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001F022865B80, 16 bytes long.
Data: <Ð …"ð > D0 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F022865A90, 16 bytes long.
Data: <¨ …"ð > A8 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F0228658B0, 16 bytes long.
Data: < …"ð > 80 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F022865FE0, 16 bytes long.
Data: <X …"ð > 58 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F0228659A0, 16 bytes long.
Data: <0 …"ð > 30 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F022865810, 16 bytes long.
Data: < …"ð > 08 05 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F022861310, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001F0228656D0, 16 bytes long.
Data: <à …"ð > E0 04 85 22 F0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F0228504E0, 320 bytes long.
Data: <ÐV†"ð †"ð > D0 56 86 22 F0 01 00 00 10 13 86 22 F0 01 00 00
{269} normal block at 0x000001F022865B30, 16 bytes long.
Data: <@g†"ð > 40 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F022866300, 16 bytes long.
Data: < g†"ð > 18 67 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F022860950, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001F022865900, 16 bytes long.
Data: <ðf†"ð > F0 66 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F022860890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001F022865F40, 16 bytes long.
Data: <8f†"ð > 38 66 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F022865A40, 16 bytes long.
Data: < f†"ð > 10 66 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F022865EF0, 16 bytes long.
Data: <èe†"ð > E8 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F022865EA0, 16 bytes long.
Data: <Àe†"ð > C0 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F022865950, 16 bytes long.
Data: < e†"ð > 98 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F022865540, 16 bytes long.
Data: <pe†"ð > 70 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F022865F90, 16 bytes long.
Data: <0I†"ð > 30 49 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F022864930, 40 bytes long.
Data: < _†"ð Hj$ð > 90 5F 86 22 F0 01 00 00 80 48 6A 24 F0 01 00 00
{255} normal block at 0x000001F022866260, 16 bytes long.
Data: <Pe†"ð > 50 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F0228659F0, 16 bytes long.
Data: <(e†"ð > 28 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F022860770, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001F0228662B0, 16 bytes long.
Data: < e†"ð > 00 65 86 22 F0 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001F022866500, 992 bytes long.
Data: <°b†"ð p †"ð > B0 62 86 22 F0 01 00 00 70 07 86 22 F0 01 00 00
{87} normal block at 0x000001F0228608F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001F02285D600, 16 bytes long.
Data: <0ë„"ð > 30 EB 84 22 F0 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001F02284EB30, 40 bytes long.
Data: < Ö…"ð ð †"ð > 00 D6 85 22 F0 01 00 00 F0 08 86 22 F0 01 00 00
{64} normal block at 0x000001F02285DBF0, 16 bytes long.
Data: < êê&ö > 80 EA EA 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F02285DD80, 16 bytes long.
Data: <@éê&ö > 40 E9 EA 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F02285D5B0, 16 bytes long.
Data: <øWç&ö > F8 57 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F02285D010, 16 bytes long.
Data: <ØWç&ö > D8 57 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F02285D560, 16 bytes long.
Data: <P ç&ö > 50 04 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F02285DB50, 16 bytes long.
Data: <0 ç&ö > 30 04 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F02285D510, 16 bytes long.
Data: <à ç&ö > E0 02 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F02285D2E0, 16 bytes long.
Data: < ç&ö > 10 04 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F02285DD30, 16 bytes long.
Data: <p ç&ö > 70 04 E7 26 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F02285D100, 16 bytes long.
Data: < Àå&ö > 18 C0 E5 26 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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