Task 38636381
| Name | shp2_A14_A09_r0_2-QUICO_ATM_GAFF2_NAGL_shp2-1-6-RND7329_1 |
| Workunit | 31584464 |
| Created | 29 Apr 2026, 4:05:10 UTC |
| Sent | 29 Apr 2026, 4:05:11 UTC |
| Report deadline | 4 May 2026, 4:05:11 UTC |
| Received | 29 Apr 2026, 15:57:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 88340 |
| Run time | 11 hours 48 min 1 sec |
| CPU time | 11 hours 40 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,212.01 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 886.79 MB |
| Peak swap size | 7.15 GB |
| Peak disk usage | 3.23 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:09:18 (17380): wrapper (7.9.26016): starting
05:09:18 (17380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A09_0.pdb
QB_A14_A09_0.xml
QB_A14_A09.inpcrd
QB_A14_A09_input.yaml
QB_A14_A09.pdb
QB_A14_A09.prmtop
QB_A14_A09_sys.xml
run.bat
run.sh
05:09:19 (17380): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:09:19 (17380): 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\0\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\0\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
16:56:15 (17380): C:/Windows/system32/cmd.exe exited; CPU time 42050.359375
16:56:15 (17380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 535585231 bytes.
Dumping objects ->
{3835307} normal block at 0x0000018DF836DDC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835296} normal block at 0x0000018DF6736730, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835285} normal block at 0x0000018DF67366C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835274} normal block at 0x0000018DF67365E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835263} normal block at 0x0000018DF6736500, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835232} normal block at 0x0000018DF83B7E70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835221} normal block at 0x0000018DF83CF7E0, 102 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) : {3835218} normal block at 0x0000018DF672EB20, 8 bytes long.
Data: < lö > 00 00 6C F6 8D 01 00 00
{3834571} normal block at 0x0000018DF83CFE10, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x0000018DF672EC60, 8 bytes long.
Data: <àiAø > E0 69 41 F8 8D 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000018DF6723B40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018DF6720B90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000018DF6736F20, 16 bytes long.
Data: <({sö > 28 7B 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000018DF6736BB0, 16 bytes long.
Data: < {sö > 00 7B 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018DF67329F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000018DF6737740, 16 bytes long.
Data: <Øzsö > D8 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018DF67376A0, 16 bytes long.
Data: <°zsö > B0 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018DF6737510, 16 bytes long.
Data: < zsö > 88 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018DF6737420, 16 bytes long.
Data: <`zsö > 60 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018DF6736180, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000018DF6737380, 16 bytes long.
Data: < (rö > 08 28 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018DF6732ED0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000018DF6736E80, 16 bytes long.
Data: <à'rö > E0 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018DF67373D0, 16 bytes long.
Data: <¸'rö > B8 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018DF6737060, 16 bytes long.
Data: < 'rö > 90 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018DF6737010, 16 bytes long.
Data: <h'rö > 68 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018DF6736FC0, 16 bytes long.
Data: <@'rö > 40 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018DF6736B10, 16 bytes long.
Data: < 'rö > 18 27 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018DF6732630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000018DF6736A70, 16 bytes long.
Data: <ð&rö > F0 26 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018DF67226F0, 320 bytes long.
Data: <pjsö 0&sö > 70 6A 73 F6 8D 01 00 00 30 26 73 F6 8D 01 00 00
{274} normal block at 0x0000018DF6737650, 16 bytes long.
Data: <@zsö > 40 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000018DF6736E30, 16 bytes long.
Data: < zsö > 18 7A 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018DF6732930, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000018DF67371F0, 16 bytes long.
Data: <ðysö > F0 79 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018DF67328D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000018DF6736890, 16 bytes long.
Data: <8ysö > 38 79 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018DF6736CA0, 16 bytes long.
Data: < ysö > 10 79 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018DF6737330, 16 bytes long.
Data: <èxsö > E8 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018DF6736DE0, 16 bytes long.
Data: <Àxsö > C0 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000018DF6736D40, 16 bytes long.
Data: < xsö > 98 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018DF6736C00, 16 bytes long.
Data: <pxsö > 70 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000018DF6736980, 16 bytes long.
Data: < dsö > 90 64 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018DF6736490, 40 bytes long.
Data: < isö p~;ø > 80 69 73 F6 8D 01 00 00 70 7E 3B F8 8D 01 00 00
{260} normal block at 0x0000018DF67376F0, 16 bytes long.
Data: <Pxsö > 50 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000018DF6736B60, 16 bytes long.
Data: <(xsö > 28 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018DF67324B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000018DF6736840, 16 bytes long.
Data: < xsö > 00 78 73 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000018DF6737800, 992 bytes long.
Data: <@hsö °$sö > 40 68 73 F6 8D 01 00 00 B0 24 73 F6 8D 01 00 00
{92} normal block at 0x0000018DF6732450, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000018DF672F200, 16 bytes long.
Data: < rö > 10 00 72 F6 8D 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000018DF6720010, 40 bytes long.
Data: < òrö P$sö > 00 F2 72 F6 8D 01 00 00 50 24 73 F6 8D 01 00 00
{69} normal block at 0x0000018DF672ED50, 16 bytes long.
Data: < êÜ ÷ > 80 EA DC 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018DF672EE90, 16 bytes long.
Data: <@éÜ ÷ > 40 E9 DC 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018DF672EAD0, 16 bytes long.
Data: <øWÙ ÷ > F8 57 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018DF672F480, 16 bytes long.
Data: <ØWÙ ÷ > D8 57 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018DF672EA80, 16 bytes long.
Data: <P Ù ÷ > 50 04 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018DF672F340, 16 bytes long.
Data: <0 Ù ÷ > 30 04 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018DF672F3E0, 16 bytes long.
Data: <à Ù ÷ > E0 02 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018DF672EC10, 16 bytes long.
Data: < Ù ÷ > 10 04 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000018DF672EF30, 16 bytes long.
Data: <p Ù ÷ > 70 04 D9 1E F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000018DF672EA30, 16 bytes long.
Data: < À× ÷ > 18 C0 D7 1E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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