Task 38644415
| Name | p38_3_A18_A08_r0_4-QUICO_ATM_OpenFF_NAGL_p38_3-5-6-RND5280_0 |
| Workunit | 31590016 |
| Created | 8 May 2026, 15:44:54 UTC |
| Sent | 8 May 2026, 15:44:58 UTC |
| Report deadline | 13 May 2026, 15:44:58 UTC |
| Received | 9 May 2026, 11:05:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609406 |
| Run time | 19 hours 18 min 15 sec |
| CPU time | 18 hours 44 min 8 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,075.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 658.37 MB |
| Peak swap size | 9.73 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:46:41 (25748): wrapper (7.9.26016): starting
08:46:41 (25748): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A08_0.pdb
QB_A18_A08_0.xml
QB_A18_A08.inpcrd
QB_A18_A08_input.yaml
QB_A18_A08.pdb
QB_A18_A08.prmtop
QB_A18_A08_sys.xml
run.bat
run.sh
08:46:42 (25748): Library/usr/bin/tar.exe exited; CPU time 0.031250
08:46:42 (25748): 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\19\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\19\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
04:04:06 (25748): C:/Windows/system32/cmd.exe exited; CPU time 67448.609375
04:04:06 (25748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 1392617939 bytes.
Dumping objects ->
{3835191} normal block at 0x000002B58AEB4E00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835180} normal block at 0x000002B58AEB4D90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835169} normal block at 0x000002B58AEB4CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835158} normal block at 0x000002B58AEB4C40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835147} normal block at 0x000002B58AEB4BD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835116} normal block at 0x000002B58CC46780, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x000002B58AEAD610, 8 bytes long.
Data: < ,‹µ > 00 00 2C 8B B5 02 00 00
{3833953} normal block at 0x000002B58AEAD570, 8 bytes long.
Data: <PÖ銵 > 50 D6 E9 8A B5 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002B58AEA0900, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B58AEA2550, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002B58AEB6030, 16 bytes long.
Data: <øe늵 > F8 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B58AEB5EF0, 16 bytes long.
Data: <Ðe늵 > D0 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002B58AEB0B20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002B58AEB59A0, 16 bytes long.
Data: <¨e늵 > A8 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B58AEB53B0, 16 bytes long.
Data: < e늵 > 80 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B58AEB5F40, 16 bytes long.
Data: <Xe늵 > 58 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B58AEB5EA0, 16 bytes long.
Data: <0e늵 > 30 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B58AEB4700, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002B58AEB5DB0, 16 bytes long.
Data: < ꊵ > 88 06 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B58AEB15A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002B58AEB55E0, 16 bytes long.
Data: <` ꊵ > 60 06 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002B58AEB5950, 16 bytes long.
Data: <8 ꊵ > 38 06 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B58AEB5630, 16 bytes long.
Data: < ꊵ > 10 06 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B58AEB5CC0, 16 bytes long.
Data: <è ꊵ > E8 05 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002B58AEB5C70, 16 bytes long.
Data: <À ꊵ > C0 05 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B58AEB5AE0, 16 bytes long.
Data: < ꊵ > 98 05 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002B58AEB08E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002B58AEB5C20, 16 bytes long.
Data: <p ꊵ > 70 05 EA 8A B5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B58AEA0570, 320 bytes long.
Data: < \늵 à 늵 > 20 5C EB 8A B5 02 00 00 E0 08 EB 8A B5 02 00 00
{272} normal block at 0x000002B58AEB5E50, 16 bytes long.
Data: < e늵 > 10 65 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B58AEB5360, 16 bytes long.
Data: <èd늵 > E8 64 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B58AEB0E80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002B58AEB6210, 16 bytes long.
Data: <Àd늵 > C0 64 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B58AEB14E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002B58AEB6080, 16 bytes long.
Data: < d늵 > 08 64 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002B58AEB5BD0, 16 bytes long.
Data: <àc늵 > E0 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B58AEB5770, 16 bytes long.
Data: <¸c늵 > B8 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B58AEB6120, 16 bytes long.
Data: < c늵 > 90 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002B58AEB61C0, 16 bytes long.
Data: <hc늵 > 68 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B58AEB5900, 16 bytes long.
Data: <@c늵 > 40 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002B58AEB5E00, 16 bytes long.
Data: <PH늵 > 50 48 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002B58AEB4850, 40 bytes long.
Data: < ^늵 gÄŒµ > 00 5E EB 8A B5 02 00 00 80 67 C4 8C B5 02 00 00
{258} normal block at 0x000002B58AEB5400, 16 bytes long.
Data: < c늵 > 20 63 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002B58AEB5B30, 16 bytes long.
Data: <øb늵 > F8 62 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002B58AEB07C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002B58AEB5D60, 16 bytes long.
Data: <Ðb늵 > D0 62 EB 8A B5 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002B58AEB62D0, 992 bytes long.
Data: <`]늵 À 늵 > 60 5D EB 8A B5 02 00 00 C0 07 EB 8A B5 02 00 00
{90} normal block at 0x000002B58AEB0F40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002B58AEAD660, 16 bytes long.
Data: < í銵 > 20 ED E9 8A B5 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002B58AE9ED20, 40 bytes long.
Data: <`Öꊵ @ 늵 > 60 D6 EA 8A B5 02 00 00 40 0F EB 8A B5 02 00 00
{67} normal block at 0x000002B58AEADDE0, 16 bytes long.
Data: < ê¾Kö > 80 EA BE 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B58AEADD90, 16 bytes long.
Data: <@é¾Kö > 40 E9 BE 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B58AEADC50, 16 bytes long.
Data: <øW»Kö > F8 57 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B58AEAD3E0, 16 bytes long.
Data: <ØW»Kö > D8 57 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002B58AEADE80, 16 bytes long.
Data: <P »Kö > 50 04 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002B58AEADCF0, 16 bytes long.
Data: <0 »Kö > 30 04 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002B58AEAD390, 16 bytes long.
Data: <à »Kö > E0 02 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002B58AEADE30, 16 bytes long.
Data: < »Kö > 10 04 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002B58AEADA20, 16 bytes long.
Data: <p »Kö > 70 04 BB 4B F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002B58AEAD750, 16 bytes long.
Data: < À¹Kö > 18 C0 B9 4B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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