Task 38600959
| Name | PTP1B_A04_A05_r0_4-QUICO_ATM_GAFF2_NAGL_PTP1B-2-6-RND7539_0 |
| Workunit | 31555602 |
| Created | 9 Apr 2026, 8:55:32 UTC |
| Sent | 9 Apr 2026, 8:55:38 UTC |
| Report deadline | 14 Apr 2026, 8:55:38 UTC |
| Received | 9 Apr 2026, 14:51:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648012 |
| Run time | 3 hours 43 min 57 sec |
| CPU time | 3 hours 43 min 57 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 26,737.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 658.78 MB |
| Peak swap size | 9.84 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
04:10:23 (33852): wrapper (7.9.26016): starting
04:10:23 (33852): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A04_A05_0.pdb
QB_A04_A05_0.xml
QB_A04_A05.inpcrd
QB_A04_A05_input.yaml
QB_A04_A05.pdb
QB_A04_A05.prmtop
QB_A04_A05_sys.xml
run.bat
run.sh
04:10:24 (33852): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:10:24 (33852): 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
07:50:39 (33852): C:/Windows/system32/cmd.exe exited; CPU time 13437.812500
07:50:39 (33852): 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: 236220529 bytes.
Dumping objects ->
{3835428} normal block at 0x0000024EBE277000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x0000024EBE277310, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x0000024EBE277150, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x0000024EBE2770E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x0000024EBE277070, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x0000024EBFFDB2B0, 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) : {3835340} normal block at 0x0000024EBE26DDE0, 8 bytes long.
Data: < ~¾N > 00 00 7E BE 4E 02 00 00
{3833957} normal block at 0x0000024EBE26E100, 8 bytes long.
Data: < K ÀN > 80 4B 03 C0 4E 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024EBE261250, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024EBE2623A0, 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 0x0000024EBE275940, 16 bytes long.
Data: <8k'¾N > 38 6B 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024EBE275DF0, 16 bytes long.
Data: < k'¾N > 10 6B 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024EBE271E70, 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 0x0000024EBE276520, 16 bytes long.
Data: <èj'¾N > E8 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024EBE2763E0, 16 bytes long.
Data: <Àj'¾N > C0 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024EBE275F80, 16 bytes long.
Data: < j'¾N > 98 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024EBE276480, 16 bytes long.
Data: <pj'¾N > 70 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024EBE276D60, 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 0x0000024EBE276340, 16 bytes long.
Data: < &¾N > 18 07 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024EBE2723B0, 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 0x0000024EBE2758F0, 16 bytes long.
Data: <ð &¾N > F0 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024EBE275DA0, 16 bytes long.
Data: <È &¾N > C8 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024EBE275850, 16 bytes long.
Data: <  &¾N > A0 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024EBE276610, 16 bytes long.
Data: <x &¾N > 78 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024EBE275D50, 16 bytes long.
Data: <P &¾N > 50 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024EBE275D00, 16 bytes long.
Data: <( &¾N > 28 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024EBE272350, 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 0x0000024EBE2767A0, 16 bytes long.
Data: < &¾N > 00 06 26 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024EBE260600, 320 bytes long.
Data: < g'¾N P#'¾N > A0 67 27 BE 4E 02 00 00 50 23 27 BE 4E 02 00 00
{274} normal block at 0x0000024EBE275CB0, 16 bytes long.
Data: <Pj'¾N > 50 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024EBE275A80, 16 bytes long.
Data: <(j'¾N > 28 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024EBE271A50, 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 0x0000024EBE275C60, 16 bytes long.
Data: < j'¾N > 00 6A 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024EBE2718D0, 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 0x0000024EBE2759E0, 16 bytes long.
Data: <Hi'¾N > 48 69 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024EBE275FD0, 16 bytes long.
Data: < i'¾N > 20 69 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024EBE2758A0, 16 bytes long.
Data: <øh'¾N > F8 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024EBE275990, 16 bytes long.
Data: <Ðh'¾N > D0 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024EBE2762F0, 16 bytes long.
Data: <¨h'¾N > A8 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024EBE2764D0, 16 bytes long.
Data: < h'¾N > 80 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024EBE275F30, 16 bytes long.
Data: <pÀ%¾N > 70 C0 25 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024EBE25C070, 40 bytes long.
Data: <0_'¾N °²ý¿N > 30 5F 27 BE 4E 02 00 00 B0 B2 FD BF 4E 02 00 00
{260} normal block at 0x0000024EBE275C10, 16 bytes long.
Data: <`h'¾N > 60 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024EBE276390, 16 bytes long.
Data: <8h'¾N > 38 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024EBE2716F0, 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 0x0000024EBE2762A0, 16 bytes long.
Data: < h'¾N > 10 68 27 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024EBE276810, 992 bytes long.
Data: < b'¾N ð '¾N > A0 62 27 BE 4E 02 00 00 F0 16 27 BE 4E 02 00 00
{92} normal block at 0x0000024EBE271F30, 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 0x0000024EBE26E790, 16 bytes long.
Data: < î%¾N > 10 EE 25 BE 4E 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024EBE25EE10, 40 bytes long.
Data: < ç&¾N 0 '¾N > 90 E7 26 BE 4E 02 00 00 30 1F 27 BE 4E 02 00 00
{69} normal block at 0x0000024EBE26E010, 16 bytes long.
Data: < ê¦ùö > 80 EA A6 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024EBE26E060, 16 bytes long.
Data: <@é¦ùö > 40 E9 A6 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024EBE26E9C0, 16 bytes long.
Data: <øW£ùö > F8 57 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024EBE26DFC0, 16 bytes long.
Data: <ØW£ùö > D8 57 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024EBE26E920, 16 bytes long.
Data: <P £ùö > 50 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024EBE26E4C0, 16 bytes long.
Data: <0 £ùö > 30 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024EBE26DC50, 16 bytes long.
Data: <à £ùö > E0 02 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024EBE26E880, 16 bytes long.
Data: < £ùö > 10 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024EBE26EB50, 16 bytes long.
Data: <p £ùö > 70 04 A3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024EBE26E600, 16 bytes long.
Data: < À¡ùö > 18 C0 A1 F9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra