Task 38621197
| Name | tnks2_A02_A26_r0_2-QUICO_ATM_GAFF2_NAGL_TNKS2-5-6-RND7322_1 |
| Workunit | 31568909 |
| Created | 20 Apr 2026, 7:02:33 UTC |
| Sent | 20 Apr 2026, 7:02:37 UTC |
| Report deadline | 25 Apr 2026, 7:02:37 UTC |
| Received | 20 Apr 2026, 10:10:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649126 |
| Run time | 3 hours 7 min 21 sec |
| CPU time | 3 hours 6 min 8 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,776.02 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 539.14 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:03:40 (7328): wrapper (7.9.26016): starting
03:03:40 (7328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A26_0.pdb
QB_A02_A26_0.xml
QB_A02_A26.inpcrd
QB_A02_A26_input.yaml
QB_A02_A26.pdb
QB_A02_A26.prmtop
QB_A02_A26_sys.xml
run.bat
run.sh
03:03:41 (7328): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:03:41 (7328): 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
06:10:09 (7328): C:/Windows/system32/cmd.exe exited; CPU time 11168.468750
06:10:09 (7328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
766 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: 172973877 bytes.
Dumping objects ->
{3835272} normal block at 0x00000271BF8899F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835261} normal block at 0x00000271BF889E50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x00000271BF864D20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835239} normal block at 0x00000271BF864CB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835228} normal block at 0x00000271BF864C40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835197} normal block at 0x00000271C158B580, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x00000271BF851580, 255 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) : {3835183} normal block at 0x00000271BF85CFE0, 8 bytes long.
Data: < AÁq > 00 00 41 C1 71 02 00 00
{3834574} normal block at 0x00000271BF851440, 255 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x00000271BF85D1C0, 8 bytes long.
Data: <PÖ„¿q > 50 D6 84 BF 71 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000271BF850A40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000271BF8524C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000271BF865BB0, 16 bytes long.
Data: < e†¿q > 88 65 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000271BF865FC0, 16 bytes long.
Data: <`e†¿q > 60 65 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000271BF8611D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000271BF8654D0, 16 bytes long.
Data: <8e†¿q > 38 65 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000271BF865ED0, 16 bytes long.
Data: < e†¿q > 10 65 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000271BF8652A0, 16 bytes long.
Data: <èd†¿q > E8 64 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000271BF8658E0, 16 bytes long.
Data: <Àd†¿q > C0 64 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000271BF864690, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000271BF8661F0, 16 bytes long.
Data: < …¿q > 88 06 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000271BF860810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000271BF865DE0, 16 bytes long.
Data: <` …¿q > 60 06 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000271BF865E80, 16 bytes long.
Data: <8 …¿q > 38 06 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000271BF865930, 16 bytes long.
Data: < …¿q > 10 06 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000271BF865F70, 16 bytes long.
Data: <è …¿q > E8 05 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000271BF865480, 16 bytes long.
Data: <À …¿q > C0 05 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000271BF865F20, 16 bytes long.
Data: < …¿q > 98 05 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000271BF8608D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000271BF865B60, 16 bytes long.
Data: <p …¿q > 70 05 85 BF 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000271BF850570, 320 bytes long.
Data: <`[†¿q Ð †¿q > 60 5B 86 BF 71 02 00 00 D0 08 86 BF 71 02 00 00
{273} normal block at 0x00000271BF865700, 16 bytes long.
Data: < d†¿q > A0 64 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000271BF8661A0, 16 bytes long.
Data: <xd†¿q > 78 64 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000271BF861530, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000271BF8657F0, 16 bytes long.
Data: <Pd†¿q > 50 64 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000271BF860B70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000271BF865CF0, 16 bytes long.
Data: < c†¿q > 98 63 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271BF866150, 16 bytes long.
Data: <pc†¿q > 70 63 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000271BF865CA0, 16 bytes long.
Data: <Hc†¿q > 48 63 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271BF865390, 16 bytes long.
Data: < c†¿q > 20 63 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000271BF865D90, 16 bytes long.
Data: <øb†¿q > F8 62 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000271BF865B10, 16 bytes long.
Data: <Ðb†¿q > D0 62 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000271BF865840, 16 bytes long.
Data: < G†¿q > 00 47 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000271BF864700, 40 bytes long.
Data: <@X†¿q µXÁq > 40 58 86 BF 71 02 00 00 80 B5 58 C1 71 02 00 00
{259} normal block at 0x00000271BF8653E0, 16 bytes long.
Data: <°b†¿q > B0 62 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000271BF865A70, 16 bytes long.
Data: < b†¿q > 88 62 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000271BF861230, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000271BF865AC0, 16 bytes long.
Data: <`b†¿q > 60 62 86 BF 71 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000271BF866260, 992 bytes long.
Data: <ÀZ†¿q 0 †¿q > C0 5A 86 BF 71 02 00 00 30 12 86 BF 71 02 00 00
{91} normal block at 0x00000271BF860870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000271BF85D490, 16 bytes long.
Data: < í„¿q > 20 ED 84 BF 71 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000271BF84ED20, 40 bytes long.
Data: < Ô…¿q p †¿q > 90 D4 85 BF 71 02 00 00 70 08 86 BF 71 02 00 00
{68} normal block at 0x00000271BF85DDA0, 16 bytes long.
Data: < êÒ‚÷ > 80 EA D2 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000271BF85D7B0, 16 bytes long.
Data: <@éÒ‚÷ > 40 E9 D2 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000271BF85D3A0, 16 bytes long.
Data: <øWÏ‚÷ > F8 57 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000271BF85DD00, 16 bytes long.
Data: <ØWÏ‚÷ > D8 57 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000271BF85DC10, 16 bytes long.
Data: <P Ï‚÷ > 50 04 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000271BF85D300, 16 bytes long.
Data: <0 Ï‚÷ > 30 04 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000271BF85D260, 16 bytes long.
Data: <à Ï‚÷ > E0 02 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000271BF85D6C0, 16 bytes long.
Data: < Ï‚÷ > 10 04 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000271BF85D940, 16 bytes long.
Data: <p Ï‚÷ > 70 04 CF 82 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000271BF85D440, 16 bytes long.
Data: < ÀÍ‚÷ > 18 C0 CD 82 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra