Task 38641050
| Name | cdk8_A21_A25_r0_3-QUICO_ATM_GAFF2_NAGL_cdk8-4-6-RND4333_1 |
| Workunit | 31588285 |
| Created | 2 May 2026, 5:01:58 UTC |
| Sent | 2 May 2026, 5:01:59 UTC |
| Report deadline | 7 May 2026, 5:01:59 UTC |
| Received | 2 May 2026, 9:45:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628049 |
| Run time | 4 hours 42 min 5 sec |
| CPU time | 4 hours 41 min 8 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 40,099.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 962.10 MB |
| Peak swap size | 10.36 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
07:02:30 (5924): wrapper (7.9.26016): starting
07:02:30 (5924): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A25_0.pdb
QB_A21_A25_0.xml
QB_A21_A25.inpcrd
QB_A21_A25_input.yaml
QB_A21_A25.pdb
QB_A21_A25.prmtop
QB_A21_A25_sys.xml
run.bat
run.sh
07:02:31 (5924): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:02:31 (5924): 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
11:44:03 (5924): C:/Windows/system32/cmd.exe exited; CPU time 16868.171875
11:44:03 (5924): 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: 315368769 bytes.
Dumping objects ->
{3835256} normal block at 0x000001E371709300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001E3717097D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001E371709370, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835223} normal block at 0x000001E36FA54F20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001E36FA54F90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835181} normal block at 0x000001E371715030, 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) : {3835168} normal block at 0x000001E36FA4A7D0, 8 bytes long.
Data: < ^qã > 00 00 5E 71 E3 01 00 00
{3833963} normal block at 0x000001E36FA4AC30, 8 bytes long.
Data: <°Ü£oã > B0 DC A3 6F E3 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E36FA51E20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E36FA3F900, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E36FA56080, 16 bytes long.
Data: <èk¥oã > E8 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E36FA55E50, 16 bytes long.
Data: <Àk¥oã > C0 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E36FA4EBD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E36FA55D60, 16 bytes long.
Data: < k¥oã > 98 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E36FA56440, 16 bytes long.
Data: <pk¥oã > 70 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E36FA561C0, 16 bytes long.
Data: <Hk¥oã > 48 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E36FA56490, 16 bytes long.
Data: < k¥oã > 20 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E36FA54D60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E36FA566C0, 16 bytes long.
Data: <¸Æ£oã > B8 C6 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E36FA4E8D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E36FA55EF0, 16 bytes long.
Data: < Æ£oã > 90 C6 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E36FA55F90, 16 bytes long.
Data: <hÆ£oã > 68 C6 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E36FA56260, 16 bytes long.
Data: <@Æ£oã > 40 C6 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E36FA56670, 16 bytes long.
Data: < Æ£oã > 18 C6 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E36FA55BD0, 16 bytes long.
Data: <ðÅ£oã > F0 C5 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E36FA55900, 16 bytes long.
Data: <ÈÅ£oã > C8 C5 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E36FA4EDB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E36FA56170, 16 bytes long.
Data: < Å£oã > A0 C5 A3 6F E3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E36FA3C5A0, 320 bytes long.
Data: <pa¥oã °í¤oã > 70 61 A5 6F E3 01 00 00 B0 ED A4 6F E3 01 00 00
{277} normal block at 0x000001E36FA564E0, 16 bytes long.
Data: < k¥oã > 00 6B A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E36FA55D10, 16 bytes long.
Data: <Øj¥oã > D8 6A A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E36FA4E870, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E36FA56850, 16 bytes long.
Data: <°j¥oã > B0 6A A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E36FA4F290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E36FA55A90, 16 bytes long.
Data: <øi¥oã > F8 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E36FA55E00, 16 bytes long.
Data: <Ði¥oã > D0 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E36FA56120, 16 bytes long.
Data: <¨i¥oã > A8 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E36FA55CC0, 16 bytes long.
Data: < i¥oã > 80 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E36FA55B30, 16 bytes long.
Data: <Xi¥oã > 58 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E36FA567B0, 16 bytes long.
Data: <0i¥oã > 30 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E36FA55FE0, 16 bytes long.
Data: < S¥oã > 80 53 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E36FA55380, 40 bytes long.
Data: <à_¥oã 0Pqqã > E0 5F A5 6F E3 01 00 00 30 50 71 71 E3 01 00 00
{263} normal block at 0x000001E36FA55B80, 16 bytes long.
Data: < i¥oã > 10 69 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E36FA55AE0, 16 bytes long.
Data: <èh¥oã > E8 68 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E36FA4EED0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E36FA56350, 16 bytes long.
Data: <Àh¥oã > C0 68 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E36FA568C0, 992 bytes long.
Data: <Pc¥oã Ðî¤oã > 50 63 A5 6F E3 01 00 00 D0 EE A4 6F E3 01 00 00
{95} normal block at 0x000001E36FA4EFF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E36FA4AEB0, 16 bytes long.
Data: < S¥oã > 10 53 A5 6F E3 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E36FA55310, 40 bytes long.
Data: <°®¤oã ðï¤oã > B0 AE A4 6F E3 01 00 00 F0 EF A4 6F E3 01 00 00
{72} normal block at 0x000001E36FA4B4A0, 16 bytes long.
Data: < ê'3ö > 80 EA 27 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E36FA4B400, 16 bytes long.
Data: <@é'3ö > 40 E9 27 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E36FA4A6E0, 16 bytes long.
Data: <øW$3ö > F8 57 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E36FA4A550, 16 bytes long.
Data: <ØW$3ö > D8 57 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E36FA4AC80, 16 bytes long.
Data: <P $3ö > 50 04 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E36FA4B040, 16 bytes long.
Data: <0 $3ö > 30 04 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E36FA4A730, 16 bytes long.
Data: <à $3ö > E0 02 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E36FA4AFA0, 16 bytes long.
Data: < $3ö > 10 04 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E36FA4A640, 16 bytes long.
Data: <p $3ö > 70 04 24 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E36FA4A5F0, 16 bytes long.
Data: < À"3ö > 18 C0 22 33 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra