Task 38598355
| Name | p38_A27_A26_r0_5-QUICO_ATM_GAFF2_NAGL_p38-0-6-RND5057_3 |
| Workunit | 31553383 |
| Created | 8 Apr 2026, 9:31:09 UTC |
| Sent | 8 Apr 2026, 9:43:37 UTC |
| Report deadline | 13 Apr 2026, 9:43:37 UTC |
| Received | 9 Apr 2026, 1:28:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617107 |
| Run time | 15 hours 43 min 35 sec |
| CPU time | 12 hours 20 min 19 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,353.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 761.51 MB |
| Peak swap size | 8.44 GB |
| Peak disk usage | 3.04 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:48:14 (33608): wrapper (7.9.26016): starting
05:48:14 (33608): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A26_0.pdb
QB_A27_A26_0.xml
QB_A27_A26.inpcrd
QB_A27_A26_input.yaml
QB_A27_A26.pdb
QB_A27_A26.prmtop
QB_A27_A26_sys.xml
run.bat
run.sh
05:48:16 (33608): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:48:16 (33608): 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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
21:27:19 (33608): C:/Windows/system32/cmd.exe exited; CPU time 44419.468750
21:27:19 (33608): 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: 1057045477 bytes.
Dumping objects ->
{3835488} normal block at 0x000002A8B8C7C100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x000002A8B8C7C790, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835466} normal block at 0x000002A8B8C7CE90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835455} normal block at 0x000002A8B8C7CC60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835444} normal block at 0x000002A8B8C7C330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835413} normal block at 0x000002A8BA979F10, 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) : {3835399} normal block at 0x000002A8B8C4E410, 8 bytes long.
Data: < ½¸¨ > 00 00 BD B8 A8 02 00 00
{3833959} normal block at 0x000002A8B8C4DC40, 8 bytes long.
Data: <°h º¨ > B0 68 9D BA A8 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002A8B8C461B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A8B8C44A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002A8B8C598D0, 16 bytes long.
Data: <8ŸÅ¸¨ > 38 9F C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A8B8C58DE0, 16 bytes long.
Data: < ŸÅ¸¨ > 10 9F C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A8B8C54760, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002A8B8C596A0, 16 bytes long.
Data: <èžÅ¸¨ > E8 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A8B8C59650, 16 bytes long.
Data: <ÀžÅ¸¨ > C0 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A8B8C58C50, 16 bytes long.
Data: < žÅ¸¨ > 98 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002A8B8C595B0, 16 bytes long.
Data: <pžÅ¸¨ > 70 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A8B8C53460, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002A8B8C593D0, 16 bytes long.
Data: <Xãø¨ > 58 E3 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A8B8C54940, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002A8B8C59600, 16 bytes long.
Data: <0ãø¨ > 30 E3 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A8B8C58F70, 16 bytes long.
Data: < ãø¨ > 08 E3 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A8B8C59470, 16 bytes long.
Data: <àâø¨ > E0 E2 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A8B8C59330, 16 bytes long.
Data: <¸âø¨ > B8 E2 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A8B8C59290, 16 bytes long.
Data: < âø¨ > 90 E2 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A8B8C597E0, 16 bytes long.
Data: <hâø¨ > 68 E2 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A8B8C54D60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002A8B8C59240, 16 bytes long.
Data: <@âø¨ > 40 E2 C3 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A8B8C3E240, 320 bytes long.
Data: <@’Ÿ¨ `MŸ¨ > 40 92 C5 B8 A8 02 00 00 60 4D C5 B8 A8 02 00 00
{275} normal block at 0x000002A8B8C58D90, 16 bytes long.
Data: <PžÅ¸¨ > 50 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A8B8C58FC0, 16 bytes long.
Data: <(žÅ¸¨ > 28 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A8B8C55180, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002A8B8C59830, 16 bytes long.
Data: < žÅ¸¨ > 00 9E C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A8B8C55060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002A8B8C59AB0, 16 bytes long.
Data: <H ٬ > 48 9D C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002A8B8C59560, 16 bytes long.
Data: < ٬ > 20 9D C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A8B8C592E0, 16 bytes long.
Data: <øœÅ¸¨ > F8 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A8B8C58F20, 16 bytes long.
Data: <МŸ¨ > D0 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002A8B8C59100, 16 bytes long.
Data: <¨œÅ¸¨ > A8 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A8B8C59380, 16 bytes long.
Data: < œÅ¸¨ > 80 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A8B8C591F0, 16 bytes long.
Data: < 3٬ > 80 33 C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A8B8C53380, 40 bytes long.
Data: <𑟨 Ÿ—º¨ > F0 91 C5 B8 A8 02 00 00 10 9F 97 BA A8 02 00 00
{261} normal block at 0x000002A8B8C59420, 16 bytes long.
Data: <`œÅ¸¨ > 60 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A8B8C58ED0, 16 bytes long.
Data: <8œÅ¸¨ > 38 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A8B8C54FA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002A8B8C59010, 16 bytes long.
Data: < œÅ¸¨ > 10 9C C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002A8B8C59C10, 992 bytes long.
Data: < Ÿ¨  OŸ¨ > 10 90 C5 B8 A8 02 00 00 A0 4F C5 B8 A8 02 00 00
{93} normal block at 0x000002A8B8C54A00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002A8B8C4E140, 16 bytes long.
Data: <À1Ÿ¨ > C0 31 C5 B8 A8 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002A8B8C531C0, 40 bytes long.
Data: <@áĸ¨ JŸ¨ > 40 E1 C4 B8 A8 02 00 00 00 4A C5 B8 A8 02 00 00
{70} normal block at 0x000002A8B8C4DB50, 16 bytes long.
Data: < êzR÷ > 80 EA 7A 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A8B8C4DEC0, 16 bytes long.
Data: <@ézR÷ > 40 E9 7A 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A8B8C4DF60, 16 bytes long.
Data: <øWwR÷ > F8 57 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A8B8C4E730, 16 bytes long.
Data: <ØWwR÷ > D8 57 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A8B8C4E3C0, 16 bytes long.
Data: <P wR÷ > 50 04 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002A8B8C4E370, 16 bytes long.
Data: <0 wR÷ > 30 04 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002A8B8C4DBA0, 16 bytes long.
Data: <à wR÷ > E0 02 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A8B8C4DDD0, 16 bytes long.
Data: < wR÷ > 10 04 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A8B8C4DAB0, 16 bytes long.
Data: <p wR÷ > 70 04 77 52 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A8B8C4E910, 16 bytes long.
Data: < ÀuR÷ > 18 C0 75 52 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra