Task 38601265
| Name | PTP1B_A10_A09_r0_1-QUICO_ATM_GAFF2_NAGL_PTP1B-2-6-RND0446_1 |
| Workunit | 31555864 |
| Created | 9 Apr 2026, 12:10:58 UTC |
| Sent | 9 Apr 2026, 12:11:04 UTC |
| Report deadline | 14 Apr 2026, 12:11:04 UTC |
| Received | 9 Apr 2026, 16:26:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639930 |
| Run time | 4 hours 8 min 23 sec |
| CPU time | 4 hours 8 min 23 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,383.21 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 556.98 MB |
| Peak swap size | 5.09 GB |
| Peak disk usage | 3.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:20:26 (14596): wrapper (7.9.26016): starting
07:20:26 (14596): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A10_A09_0.pdb
QB_A10_A09_0.xml
QB_A10_A09.inpcrd
QB_A10_A09_input.yaml
QB_A10_A09.pdb
QB_A10_A09.prmtop
QB_A10_A09_sys.xml
run.bat
run.sh
07:20:27 (14596): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:20:27 (14596): 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
11:26:29 (14596): C:/Windows/system32/cmd.exe exited; CPU time 14903.359375
11:26:29 (14596): 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: 219243711 bytes.
Dumping objects ->
{3835256} normal block at 0x000001B8C3648320, 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 0x000001B8C36482B0, 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 0x000001B8C3648400, 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 0x000001B8C19F56B0, 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 0x000001B8C19F5640, 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 0x000001B8C3656370, 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 0x000001B8C19EE2A0, 8 bytes long.
Data: < Á¸ > 00 00 98 C1 B8 01 00 00
{3833961} normal block at 0x000001B8C19EDD50, 8 bytes long.
Data: <PÜ Á¸ > 50 DC 9D C1 B8 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B8C19E1180, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B8C19E2640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001B8C19F62C0, 16 bytes long.
Data: <xsŸÁ¸ > 78 73 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B8C19F6810, 16 bytes long.
Data: <PsŸÁ¸ > 50 73 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B8C19F09F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001B8C19F6C70, 16 bytes long.
Data: <(sŸÁ¸ > 28 73 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B8C19F6180, 16 bytes long.
Data: < sŸÁ¸ > 00 73 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B8C19F60E0, 16 bytes long.
Data: <ØrŸÁ¸ > D8 72 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B8C19F6F90, 16 bytes long.
Data: <°rŸÁ¸ > B0 72 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B8C19F5720, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001B8C19F6270, 16 bytes long.
Data: < žÁ¸ > 88 0C 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B8C19F0990, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001B8C19F65E0, 16 bytes long.
Data: <` žÁ¸ > 60 0C 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B8C19F68B0, 16 bytes long.
Data: <8 žÁ¸ > 38 0C 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B8C19F6540, 16 bytes long.
Data: < žÁ¸ > 10 0C 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B8C19F66D0, 16 bytes long.
Data: <è žÁ¸ > E8 0B 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B8C19F6FE0, 16 bytes long.
Data: <À žÁ¸ > C0 0B 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B8C19F69A0, 16 bytes long.
Data: < žÁ¸ > 98 0B 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B8C19F01B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001B8C19F6F40, 16 bytes long.
Data: <p žÁ¸ > 70 0B 9E C1 B8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B8C19E0B70, 320 bytes long.
Data: <@oŸÁ¸ ° ŸÁ¸ > 40 6F 9F C1 B8 01 00 00 B0 01 9F C1 B8 01 00 00
{276} normal block at 0x000001B8C19F6590, 16 bytes long.
Data: < rŸÁ¸ > 90 72 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B8C19F6C20, 16 bytes long.
Data: <hrŸÁ¸ > 68 72 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B8C19EFEB0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001B8C19F6A40, 16 bytes long.
Data: <@rŸÁ¸ > 40 72 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B8C19EFD90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001B8C19F6D10, 16 bytes long.
Data: < qŸÁ¸ > 88 71 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B8C19F61D0, 16 bytes long.
Data: <`qŸÁ¸ > 60 71 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B8C19F6E50, 16 bytes long.
Data: <8qŸÁ¸ > 38 71 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B8C19F6130, 16 bytes long.
Data: < qŸÁ¸ > 10 71 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B8C19F6950, 16 bytes long.
Data: <èpŸÁ¸ > E8 70 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B8C19F6E00, 16 bytes long.
Data: <ÀpŸÁ¸ > C0 70 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B8C19F6310, 16 bytes long.
Data: < [ŸÁ¸ > 80 5B 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B8C19F5B80, 40 bytes long.
Data: < cŸÁ¸ pceø > 10 63 9F C1 B8 01 00 00 70 63 65 C3 B8 01 00 00
{262} normal block at 0x000001B8C19F6D60, 16 bytes long.
Data: < pŸÁ¸ > A0 70 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B8C19F6680, 16 bytes long.
Data: <xpŸÁ¸ > 78 70 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B8C19F0750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001B8C19F6EA0, 16 bytes long.
Data: <PpŸÁ¸ > 50 70 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B8C19F7050, 992 bytes long.
Data: < nŸÁ¸ P ŸÁ¸ > A0 6E 9F C1 B8 01 00 00 50 07 9F C1 B8 01 00 00
{94} normal block at 0x000001B8C19F0090, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001B8C19EE6B0, 16 bytes long.
Data: <`UŸÁ¸ > 60 55 9F C1 B8 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001B8C19F5560, 40 bytes long.
Data: <°æžÁ¸ ŸÁ¸ > B0 E6 9E C1 B8 01 00 00 90 00 9F C1 B8 01 00 00
{71} normal block at 0x000001B8C19EE2F0, 16 bytes long.
Data: < êøÚ÷ > 80 EA F8 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B8C19EDFD0, 16 bytes long.
Data: <@éøÚ÷ > 40 E9 F8 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B8C19EDD00, 16 bytes long.
Data: <øWõÚ÷ > F8 57 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B8C19EDDF0, 16 bytes long.
Data: <ØWõÚ÷ > D8 57 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B8C19EE700, 16 bytes long.
Data: <P õÚ÷ > 50 04 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B8C19EE0C0, 16 bytes long.
Data: <0 õÚ÷ > 30 04 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B8C19EDF80, 16 bytes long.
Data: <à õÚ÷ > E0 02 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B8C19EE520, 16 bytes long.
Data: < õÚ÷ > 10 04 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B8C19EDCB0, 16 bytes long.
Data: <p õÚ÷ > 70 04 F5 DA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B8C19EE340, 16 bytes long.
Data: < ÀóÚ÷ > 18 C0 F3 DA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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