Task 38612624
| Name | p38_A22_A10_r0_2-QUICO_ATM_OpenFF_p38-4-6-RND2578_0 |
| Workunit | 31565210 |
| Created | 16 Apr 2026, 9:37:57 UTC |
| Sent | 16 Apr 2026, 9:38:03 UTC |
| Report deadline | 21 Apr 2026, 9:38:03 UTC |
| Received | 17 Apr 2026, 2:18:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651921 |
| Run time | 4 hours 32 min 2 sec |
| CPU time | 4 hours 31 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 23,189.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.14 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:46:48 (34340): wrapper (7.9.26016): starting
23:46:48 (34340): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A10_0.pdb
QB_A22_A10_0.xml
QB_A22_A10.inpcrd
QB_A22_A10_input.yaml
QB_A22_A10.pdb
QB_A22_A10.prmtop
QB_A22_A10_sys.xml
run.bat
run.sh
23:46:49 (34340): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:46:49 (34340): 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:\Boinc\005\slots\1\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:\Boinc\005\slots\1\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
04:18:15 (34340): C:/Windows/system32/cmd.exe exited; CPU time 16288.765625
04:18:15 (34340): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 515926167 bytes.
Dumping objects ->
{3835538} normal block at 0x00000213DBBC4A20, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835527} normal block at 0x00000213DDA8F1E0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835516} normal block at 0x00000213DDA8FBA0, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835505} normal block at 0x00000213DDA8FB40, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835494} normal block at 0x00000213DDA8F060, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835463} normal block at 0x00000213DBBC47F0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835452} normal block at 0x00000213DBC1A830, 140 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) : {3835449} normal block at 0x00000213DBBBD2A0, 8 bytes long.
Data: < Ü > 00 00 0D DC 13 02 00 00
{3834673} normal block at 0x00000213DBC1ADE0, 140 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 0x00000213DBBBD430, 8 bytes long.
Data: < CªÝ > 20 43 AA DD 13 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000213DBBB1320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000213DBBB1C50, 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 0x00000213DBBC6120, 16 bytes long.
Data: <¸d¼Û > B8 64 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000213DBBC5860, 16 bytes long.
Data: < d¼Û > 90 64 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000213DBBC0980, 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 0x00000213DBBC5D10, 16 bytes long.
Data: <hd¼Û > 68 64 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000213DBBC5AE0, 16 bytes long.
Data: <@d¼Û > 40 64 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000213DBBC5900, 16 bytes long.
Data: < d¼Û > 18 64 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000213DBBC5B80, 16 bytes long.
Data: <ðc¼Û > F0 63 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000213DBBC4630, 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 0x00000213DBBC5B30, 16 bytes long.
Data: <HìºÛ > 48 EC BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000213DBBC1220, 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 0x00000213DBBC5270, 16 bytes long.
Data: < ìºÛ > 20 EC BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000213DBBC5810, 16 bytes long.
Data: <øëºÛ > F8 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000213DBBC59F0, 16 bytes long.
Data: <ÐëºÛ > D0 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000213DBBC5A90, 16 bytes long.
Data: <¨ëºÛ > A8 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000213DBBC60D0, 16 bytes long.
Data: < ëºÛ > 80 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000213DBBC54A0, 16 bytes long.
Data: <XëºÛ > 58 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000213DBBC0F80, 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 0x00000213DBBC5FE0, 16 bytes long.
Data: <0ëºÛ > 30 EB BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000213DBBAEB30, 320 bytes long.
Data: <à_¼Û ¼Û > E0 5F BC DB 13 02 00 00 80 0F BC DB 13 02 00 00
{268} normal block at 0x00000213DBBC5220, 16 bytes long.
Data: <Ðc¼Û > D0 63 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000213DBBC5450, 16 bytes long.
Data: <¨c¼Û > A8 63 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000213DBBC1040, 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 0x00000213DBBC5CC0, 16 bytes long.
Data: < c¼Û > 80 63 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000213DBBC0E60, 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 0x00000213DBBC5F40, 16 bytes long.
Data: <Èb¼Û > C8 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000213DBBC5400, 16 bytes long.
Data: < b¼Û > A0 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000213DBBC56D0, 16 bytes long.
Data: <xb¼Û > 78 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000213DBBC57C0, 16 bytes long.
Data: <Pb¼Û > 50 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000213DBBC5770, 16 bytes long.
Data: <(b¼Û > 28 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000213DBBC5720, 16 bytes long.
Data: < b¼Û > 00 62 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000213DBBC53B0, 16 bytes long.
Data: <°I¼Û > B0 49 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000213DBBC49B0, 40 bytes long.
Data: <°S¼Û ðG¼Û > B0 53 BC DB 13 02 00 00 F0 47 BC DB 13 02 00 00
{254} normal block at 0x00000213DBBC51D0, 16 bytes long.
Data: <àa¼Û > E0 61 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000213DBBC6030, 16 bytes long.
Data: <¸a¼Û > B8 61 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000213DBBC07A0, 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 0x00000213DBBC5360, 16 bytes long.
Data: < a¼Û > 90 61 BC DB 13 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000213DBBC6190, 992 bytes long.
Data: <`S¼Û   ¼Û > 60 53 BC DB 13 02 00 00 A0 07 BC DB 13 02 00 00
{86} normal block at 0x00000213DBBC0AA0, 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 0x00000213DBBBDA20, 16 bytes long.
Data: < ÑºÛ > 90 D1 BA DB 13 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000213DBBAD190, 40 bytes long.
Data: < Ú»Û   ¼Û > 20 DA BB DB 13 02 00 00 A0 0A BC DB 13 02 00 00
{63} normal block at 0x00000213DBBBDCF0, 16 bytes long.
Data: < ê]·ö > 80 EA 5D B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000213DBBBDC50, 16 bytes long.
Data: <@é]·ö > 40 E9 5D B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000213DBBBD700, 16 bytes long.
Data: <øWZ·ö > F8 57 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000213DBBBD1B0, 16 bytes long.
Data: <ØWZ·ö > D8 57 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000213DBBBD9D0, 16 bytes long.
Data: <P Z·ö > 50 04 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000213DBBBDC00, 16 bytes long.
Data: <0 Z·ö > 30 04 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000213DBBBCFD0, 16 bytes long.
Data: <à Z·ö > E0 02 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000213DBBBCF30, 16 bytes long.
Data: < Z·ö > 10 04 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000213DBBBCEE0, 16 bytes long.
Data: <p Z·ö > 70 04 5A B7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000213DBBBDB60, 16 bytes long.
Data: < ÀX·ö > 18 C0 58 B7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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