Task 38621664
| Name | p38_2_A02_A06_r0_5-QUICO_ATM_GAFF2_NAGL_p38_2-5-6-RND8257_0 |
| Workunit | 31572527 |
| Created | 20 Apr 2026, 10:43:58 UTC |
| Sent | 20 Apr 2026, 10:44:00 UTC |
| Report deadline | 25 Apr 2026, 10:44:00 UTC |
| Received | 21 Apr 2026, 0:53:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629236 |
| Run time | 12 hours 27 min 47 sec |
| CPU time | 12 hours 27 min 47 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 13,388.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 681.73 MB |
| Peak swap size | 5.36 GB |
| Peak disk usage | 4.06 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:08:12 (26940): wrapper (7.9.26016): starting
14:08:12 (26940): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A06_0.pdb
QB_A02_A06_0.xml
QB_A02_A06.inpcrd
QB_A02_A06_input.yaml
QB_A02_A06.pdb
QB_A02_A06.prmtop
QB_A02_A06_sys.xml
run.bat
run.sh
14:08:14 (26940): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:08:14 (26940): 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\9\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\9\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
02:51:40 (26940): C:/Windows/system32/cmd.exe exited; CPU time 44867.375000
02:51:40 (26940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 745264380 bytes.
Dumping objects ->
{3835279} normal block at 0x000002348D831090, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835268} normal block at 0x000002348D830A00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835257} normal block at 0x000002348D831640, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835246} normal block at 0x000002348D8313A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x000002348D830CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835204} normal block at 0x000002348D9975D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000002348D9AC170, 85 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) : {3835190} normal block at 0x000002348BD07DD0, 8 bytes long.
Data: < Ë‹4 > 00 00 CB 8B 34 02 00 00
{3834561} normal block at 0x000002348D9ABE50, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000002348BD07B50, 8 bytes long.
Data: < ëÞ‹4 > 00 EB DE 8B 34 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002348BD14070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002348BCFBA10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002348BD155B0, 16 bytes long.
Data: <ècÑ‹4 > E8 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002348BD15A60, 16 bytes long.
Data: <ÀcÑ‹4 > C0 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002348BD0D970, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002348BD158D0, 16 bytes long.
Data: < cы4 > 98 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002348BD15C40, 16 bytes long.
Data: <pcы4 > 70 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002348BD15BF0, 16 bytes long.
Data: <Hcы4 > 48 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002348BD15380, 16 bytes long.
Data: < cы4 > 20 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002348BD0C6F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002348BD15330, 16 bytes long.
Data: < ]Ï‹4 > 98 5D CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002348BD0E2D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002348BD15560, 16 bytes long.
Data: <p]Ï‹4 > 70 5D CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002348BD152E0, 16 bytes long.
Data: <H]Ï‹4 > 48 5D CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002348BD15FB0, 16 bytes long.
Data: < ]Ï‹4 > 20 5D CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002348BD15880, 16 bytes long.
Data: <ø\Ï‹4 > F8 5C CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002348BD15F60, 16 bytes long.
Data: <Ð\Ï‹4 > D0 5C CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002348BD15D80, 16 bytes long.
Data: <¨\Ï‹4 > A8 5C CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002348BD0D790, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002348BD15100, 16 bytes long.
Data: < \Ï‹4 > 80 5C CF 8B 34 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002348BCF5C80, 320 bytes long.
Data: < QÑ‹4 ×Ћ4 > 00 51 D1 8B 34 02 00 00 90 D7 D0 8B 34 02 00 00
{271} normal block at 0x000002348BD15830, 16 bytes long.
Data: < cы4 > 00 63 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002348BD15740, 16 bytes long.
Data: <ØbÑ‹4 > D8 62 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002348BD0DE50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002348BD157E0, 16 bytes long.
Data: <°bÑ‹4 > B0 62 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002348BD0E5D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002348BD159C0, 16 bytes long.
Data: <øaÑ‹4 > F8 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002348BD15D30, 16 bytes long.
Data: <ÐaÑ‹4 > D0 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002348BD15EC0, 16 bytes long.
Data: <¨aÑ‹4 > A8 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002348BD15B50, 16 bytes long.
Data: < aы4 > 80 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002348BD156A0, 16 bytes long.
Data: <Xaы4 > 58 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002348BD15DD0, 16 bytes long.
Data: <0aы4 > 30 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002348BD15290, 16 bytes long.
Data: <àÃЋ4 > E0 C3 D0 8B 34 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002348BD0C3E0, 40 bytes long.
Data: < RÑ‹4 Ðu 4 > 90 52 D1 8B 34 02 00 00 D0 75 99 8D 34 02 00 00
{257} normal block at 0x000002348BD151A0, 16 bytes long.
Data: < aы4 > 10 61 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002348BD154C0, 16 bytes long.
Data: <è`Ñ‹4 > E8 60 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002348BD0E630, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002348BD16000, 16 bytes long.
Data: <À`Ñ‹4 > C0 60 D1 8B 34 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002348BD160C0, 992 bytes long.
Data: < `Ñ‹4 0æЋ4 > 00 60 D1 8B 34 02 00 00 30 E6 D0 8B 34 02 00 00
{89} normal block at 0x000002348BD0DD30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002348BD07B00, 16 bytes long.
Data: <pÃЋ4 > 70 C3 D0 8B 34 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002348BD0C370, 40 bytes long.
Data: < {Ћ4 0ÝЋ4 > 00 7B D0 8B 34 02 00 00 30 DD D0 8B 34 02 00 00
{66} normal block at 0x000002348BD076A0, 16 bytes long.
Data: < ê èö > 80 EA 16 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002348BD081E0, 16 bytes long.
Data: <@é èö > 40 E9 16 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002348BD075B0, 16 bytes long.
Data: <øW èö > F8 57 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002348BD076F0, 16 bytes long.
Data: <ØW èö > D8 57 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002348BD079C0, 16 bytes long.
Data: <P èö > 50 04 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002348BD08050, 16 bytes long.
Data: <0 èö > 30 04 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002348BD08000, 16 bytes long.
Data: <à èö > E0 02 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002348BD07970, 16 bytes long.
Data: < èö > 10 04 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002348BD07C40, 16 bytes long.
Data: <p èö > 70 04 13 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002348BD07EC0, 16 bytes long.
Data: < À èö > 18 C0 11 E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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