Task 38616954
| Name | p38_2_A02_A10_r0_4-QUICO_ATM_GAFF2_NAGL_p38_2-2-6-RND3383_0 |
| Workunit | 31568706 |
| Created | 18 Apr 2026, 0:24:04 UTC |
| Sent | 18 Apr 2026, 0:24:13 UTC |
| Report deadline | 23 Apr 2026, 0:24:13 UTC |
| Received | 18 Apr 2026, 21:12:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 464557 |
| Run time | 4 hours 42 min 23 sec |
| CPU time | 4 hours 42 min 23 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,075.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 640.71 MB |
| Peak swap size | 3.74 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
18:33:28 (13124): wrapper (7.9.26016): starting
18:33:28 (13124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A10_0.pdb
QB_A02_A10_0.xml
QB_A02_A10.inpcrd
QB_A02_A10_input.yaml
QB_A02_A10.pdb
QB_A02_A10.prmtop
QB_A02_A10_sys.xml
run.bat
run.sh
18:33:29 (13124): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:33:29 (13124): 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\ProgramData\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\ProgramData\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
23:11:09 (13124): C:/Windows/system32/cmd.exe exited; CPU time 16943.000000
23:11:09 (13124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 196464505 bytes.
Dumping objects ->
{3835241} normal block at 0x000001FD57290D30, 48 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{3835230} normal block at 0x000001FD572910B0, 48 bytes long.
Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{3835219} normal block at 0x000001FD572915F0, 48 bytes long.
Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F
{3835208} normal block at 0x000001FD572914A0, 48 bytes long.
Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{3835197} normal block at 0x000001FD57290EF0, 48 bytes long.
Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C
{3835166} normal block at 0x000001FD57384EE0, 64 bytes long.
Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72
{3835155} normal block at 0x000001FD574128E0, 160 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) : {3835152} normal block at 0x000001FD55828080, 8 bytes long.
Data: < |Uý > 00 00 7C 55 FD 01 00 00
{3834548} normal block at 0x000001FD57412F00, 160 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 0x000001FD55828670, 8 bytes long.
Data: < Î9Wý > 20 CE 39 57 FD 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FD55833120, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FD5581B990, 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 0x000001FD55834200, 16 bytes long.
Data: <XSƒUý > 58 53 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FD55834160, 16 bytes long.
Data: <0SƒUý > 30 53 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FD5582D290, 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 0x000001FD558344D0, 16 bytes long.
Data: < SƒUý > 08 53 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FD55834480, 16 bytes long.
Data: <àRƒUý > E0 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FD55834CF0, 16 bytes long.
Data: <¸RƒUý > B8 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FD558343E0, 16 bytes long.
Data: < RƒUý > 90 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FD5582EB30, 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 0x000001FD55834340, 16 bytes long.
Data: <¨â‚Uý > A8 E2 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FD5582D4D0, 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 0x000001FD55834CA0, 16 bytes long.
Data: < â‚Uý > 80 E2 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FD55834110, 16 bytes long.
Data: <Xâ‚Uý > 58 E2 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FD55834ED0, 16 bytes long.
Data: <0â‚Uý > 30 E2 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FD55834C50, 16 bytes long.
Data: < â‚Uý > 08 E2 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FD55834750, 16 bytes long.
Data: <àá‚Uý > E0 E1 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FD55834E80, 16 bytes long.
Data: <¸á‚Uý > B8 E1 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FD5582D5F0, 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 0x000001FD55834610, 16 bytes long.
Data: < á‚Uý > 90 E1 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FD5582E190, 320 bytes long.
Data: < FƒUý ðÕ‚Uý > 10 46 83 55 FD 01 00 00 F0 D5 82 55 FD 01 00 00
{271} normal block at 0x000001FD55834DE0, 16 bytes long.
Data: <pRƒUý > 70 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FD55834980, 16 bytes long.
Data: <HRƒUý > 48 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FD5582CE70, 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 0x000001FD55834700, 16 bytes long.
Data: < RƒUý > 20 52 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FD5582CE10, 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 0x000001FD558347A0, 16 bytes long.
Data: <hQƒUý > 68 51 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FD55834D90, 16 bytes long.
Data: <@QƒUý > 40 51 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FD55834570, 16 bytes long.
Data: < QƒUý > 18 51 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FD55834250, 16 bytes long.
Data: <ðPƒUý > F0 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FD55834C00, 16 bytes long.
Data: <ÈPƒUý > C8 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FD558345C0, 16 bytes long.
Data: < PƒUý > A0 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FD55834840, 16 bytes long.
Data: <pð‚Uý > 70 F0 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FD5582F070, 40 bytes long.
Data: <@HƒUý àN8Wý > 40 48 83 55 FD 01 00 00 E0 4E 38 57 FD 01 00 00
{257} normal block at 0x000001FD55834D40, 16 bytes long.
Data: < PƒUý > 80 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FD55834390, 16 bytes long.
Data: <XPƒUý > 58 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001FD5582D590, 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 0x000001FD55834A70, 16 bytes long.
Data: <0PƒUý > 30 50 83 55 FD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001FD55835030, 992 bytes long.
Data: <pJƒUý Õ‚Uý > 70 4A 83 55 FD 01 00 00 90 D5 82 55 FD 01 00 00
{89} normal block at 0x000001FD5582CCF0, 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 0x000001FD55828620, 16 bytes long.
Data: < ì‚Uý > 10 EC 82 55 FD 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001FD5582EC10, 40 bytes long.
Data: < †‚Uý ðÌ‚Uý > 20 86 82 55 FD 01 00 00 F0 CC 82 55 FD 01 00 00
{66} normal block at 0x000001FD55827E50, 16 bytes long.
Data: < ê´ž÷ > 80 EA B4 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FD55828800, 16 bytes long.
Data: <@é´ž÷ > 40 E9 B4 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FD558288A0, 16 bytes long.
Data: <øW±ž÷ > F8 57 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FD55827E00, 16 bytes long.
Data: <ØW±ž÷ > D8 57 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FD558287B0, 16 bytes long.
Data: <P ±ž÷ > 50 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FD55828120, 16 bytes long.
Data: <0 ±ž÷ > 30 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FD55828580, 16 bytes long.
Data: <à ±ž÷ > E0 02 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001FD558284E0, 16 bytes long.
Data: < ±ž÷ > 10 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001FD558280D0, 16 bytes long.
Data: <p ±ž÷ > 70 04 B1 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001FD55828440, 16 bytes long.
Data: < À¯ž÷ > 18 C0 AF 9E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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