Task 38614185
| Name | hif2a_A02_A36_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND8672_1 |
| Workunit | 31566560 |
| Created | 17 Apr 2026, 10:05:03 UTC |
| Sent | 17 Apr 2026, 10:05:11 UTC |
| Report deadline | 22 Apr 2026, 10:05:11 UTC |
| Received | 18 Apr 2026, 4:38:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651977 |
| Run time | 3 hours 26 min 54 sec |
| CPU time | 2 hours 59 min 5 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 84,050.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 494.26 MB |
| Peak swap size | 12.81 GB |
| Peak disk usage | 4.10 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:10:45 (20112): wrapper (7.9.26016): starting
03:10:45 (20112): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A36_0.pdb
QB_A02_A36_0.xml
QB_A02_A36.inpcrd
QB_A02_A36_input.yaml
QB_A02_A36.pdb
QB_A02_A36.prmtop
QB_A02_A36_sys.xml
run.bat
run.sh
03:10:46 (20112): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:10:46 (20112): 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\004\slots\2\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\004\slots\2\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
06:37:46 (20112): C:/Windows/system32/cmd.exe exited; CPU time 10745.218750
06:37:46 (20112): 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: 376933277 bytes.
Dumping objects ->
{3835245} normal block at 0x000001F253FB5EB0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835234} normal block at 0x000001F255D95820, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835223} normal block at 0x000001F255D95D00, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835212} normal block at 0x000001F255D96180, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835201} normal block at 0x000001F255D96000, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835170} normal block at 0x000001F253FB61C0, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835159} normal block at 0x000001F253FFE730, 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) : {3835156} normal block at 0x000001F253FAD450, 8 bytes long.
Data: < ôSò > 00 00 F4 53 F2 01 00 00
{3834543} normal block at 0x000001F253FFE320, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833941} normal block at 0x000001F253FACFA0, 8 bytes long.
Data: <pÝùSò > 70 DD F9 53 F2 01 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001F253FA0CB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F253FA1F80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{286} normal block at 0x000001F253FB5220, 16 bytes long.
Data: < \ûSò > 88 5C FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F253FB4C80, 16 bytes long.
Data: <`\ûSò > 60 5C FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F253FB0DA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{283} normal block at 0x000001F253FB48C0, 16 bytes long.
Data: <8\ûSò > 38 5C FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F253FB4EB0, 16 bytes long.
Data: < \ûSò > 10 5C FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F253FB4DC0, 16 bytes long.
Data: <è[ûSò > E8 5B FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F253FB4870, 16 bytes long.
Data: <À[ûSò > C0 5B FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F253FB5DD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{278} normal block at 0x000001F253FB4960, 16 bytes long.
Data: < ìùSò > 18 EC F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F253FB0C80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{276} normal block at 0x000001F253FB47D0, 16 bytes long.
Data: <ðëùSò > F0 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F253FB4B40, 16 bytes long.
Data: <ÈëùSò > C8 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F253FB4640, 16 bytes long.
Data: < ëùSò > A0 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F253FB54A0, 16 bytes long.
Data: <xëùSò > 78 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F253FB4AF0, 16 bytes long.
Data: <PëùSò > 50 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F253FB5090, 16 bytes long.
Data: <(ëùSò > 28 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F253FB0920, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{268} normal block at 0x000001F253FB50E0, 16 bytes long.
Data: < ëùSò > 00 EB F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F253F9EB00, 320 bytes long.
Data: <àPûSò ûSò > E0 50 FB 53 F2 01 00 00 20 09 FB 53 F2 01 00 00
{266} normal block at 0x000001F253FB51D0, 16 bytes long.
Data: < [ûSò > A0 5B FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F253FB4AA0, 16 bytes long.
Data: <x[ûSò > 78 5B FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F253FB0B00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{263} normal block at 0x000001F253FB4C30, 16 bytes long.
Data: <P[ûSò > 50 5B FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F253FB02C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{261} normal block at 0x000001F253FB4BE0, 16 bytes long.
Data: < ZûSò > 98 5A FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F253FB5180, 16 bytes long.
Data: <pZûSò > 70 5A FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F253FB45F0, 16 bytes long.
Data: <HZûSò > 48 5A FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F253FB4A50, 16 bytes long.
Data: < ZûSò > 20 5A FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F253FB4780, 16 bytes long.
Data: <øYûSò > F8 59 FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F253FB4D20, 16 bytes long.
Data: <ÐYûSò > D0 59 FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001F253FB4A00, 16 bytes long.
Data: < ¾ùSò > A0 BE F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001F253F9BEA0, 40 bytes long.
Data: < JûSò ÀaûSò > 00 4A FB 53 F2 01 00 00 C0 61 FB 53 F2 01 00 00
{252} normal block at 0x000001F253FB4730, 16 bytes long.
Data: <°YûSò > B0 59 FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001F253FB5040, 16 bytes long.
Data: < YûSò > 88 59 FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001F253FB0F80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{249} normal block at 0x000001F253FB45A0, 16 bytes long.
Data: <`YûSò > 60 59 FB 53 F2 01 00 00 00 00 00 00 00 00 00 00
{248} normal block at 0x000001F253FB5960, 992 bytes long.
Data: < EûSò ûSò > A0 45 FB 53 F2 01 00 00 80 0F FB 53 F2 01 00 00
{84} normal block at 0x000001F253FB0440, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{83} normal block at 0x000001F253FAD1D0, 16 bytes long.
Data: <pÄùSò > 70 C4 F9 53 F2 01 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001F253F9C470, 40 bytes long.
Data: <ÐÑúSò @ ûSò > D0 D1 FA 53 F2 01 00 00 40 04 FB 53 F2 01 00 00
{61} normal block at 0x000001F253FACD20, 16 bytes long.
Data: < ê¤Ñ÷ > 80 EA A4 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F253FAD7C0, 16 bytes long.
Data: <@é¤Ñ÷ > 40 E9 A4 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001F253FACE10, 16 bytes long.
Data: <øW¡Ñ÷ > F8 57 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001F253FAD2C0, 16 bytes long.
Data: <ØW¡Ñ÷ > D8 57 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001F253FACCD0, 16 bytes long.
Data: <P ¡Ñ÷ > 50 04 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001F253FACDC0, 16 bytes long.
Data: <0 ¡Ñ÷ > 30 04 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001F253FACC80, 16 bytes long.
Data: <à ¡Ñ÷ > E0 02 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001F253FACF50, 16 bytes long.
Data: < ¡Ñ÷ > 10 04 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001F253FAD770, 16 bytes long.
Data: <p ¡Ñ÷ > 70 04 A1 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001F253FAD630, 16 bytes long.
Data: < ÀŸÑ÷ > 18 C0 9F D1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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