Task 38602542
| Name | p38_A22_A17_r0_2-QUICO_ATM_GAFF2_NAGL_p38-3-6-RND2128_1 |
| Workunit | 31556693 |
| Created | 10 Apr 2026, 3:26:07 UTC |
| Sent | 10 Apr 2026, 3:26:10 UTC |
| Report deadline | 15 Apr 2026, 3:26:10 UTC |
| Received | 10 Apr 2026, 11:06:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 598225 |
| Run time | 7 hours 22 min 25 sec |
| CPU time | 7 hours 21 min 26 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,948.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.20 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.69 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
23:44:10 (195876): wrapper (7.9.26016): starting
23:44:10 (195876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A22_A17_0.pdb
QB_A22_A17_0.xml
QB_A22_A17.inpcrd
QB_A22_A17_input.yaml
QB_A22_A17.pdb
QB_A22_A17.prmtop
QB_A22_A17_sys.xml
run.bat
run.sh
23:44:11 (195876): Library/usr/bin/tar.exe exited; CPU time 0.031250
23:44:11 (195876): 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
07:05:59 (195876): C:/Windows/system32/cmd.exe exited; CPU time 26486.125000
07:05:59 (195876): called boinc_finish(0)
0 bytes in 0 Free Blocks.
658 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: 420658203 bytes.
Dumping objects ->
{3835316} normal block at 0x000001CFBFB420F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835305} normal block at 0x000001CFBDFA5460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835294} normal block at 0x000001CFBDFA4F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835283} normal block at 0x000001CFBDFA5380, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001CFBDFA4EB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835241} normal block at 0x000001CFBFBBAEE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001CFBDF9B920, 201 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) : {3835227} normal block at 0x000001CFBDF9D4A0, 8 bytes long.
Data: < A¾Ï > 00 00 41 BE CF 01 00 00
{3834584} normal block at 0x000001CFBDF9AE80, 201 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001CFBDF9DF90, 8 bytes long.
Data: <  ´¿Ï > A0 05 B4 BF CF 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001CFBDF913F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001CFBDF91BD0, 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 0x000001CFBDFA6890, 16 bytes long.
Data: <Èlú½Ï > C8 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CFBDFA6250, 16 bytes long.
Data: < lú½Ï > A0 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001CFBDFA03C0, 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 0x000001CFBDFA67F0, 16 bytes long.
Data: <xlú½Ï > 78 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CFBDFA67A0, 16 bytes long.
Data: <Plú½Ï > 50 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CFBDFA6200, 16 bytes long.
Data: <(lú½Ï > 28 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CFBDFA6750, 16 bytes long.
Data: < lú½Ï > 00 6C FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CFBDFA5150, 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 0x000001CFBDFA6700, 16 bytes long.
Data: < õø½Ï > 18 F5 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CFBDFA0300, 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 0x000001CFBDFA6110, 16 bytes long.
Data: <ðôø½Ï > F0 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CFBDFA60C0, 16 bytes long.
Data: <Èôø½Ï > C8 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CFBDFA6610, 16 bytes long.
Data: < ôø½Ï > A0 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CFBDFA59E0, 16 bytes long.
Data: <xôø½Ï > 78 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CFBDFA6390, 16 bytes long.
Data: <Pôø½Ï > 50 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CFBDFA5B70, 16 bytes long.
Data: <(ôø½Ï > 28 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CFBDF9FFA0, 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 0x000001CFBDFA6840, 16 bytes long.
Data: < ôø½Ï > 00 F4 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CFBDF8F400, 320 bytes long.
Data: <@hú½Ï  ÿù½Ï > 40 68 FA BD CF 01 00 00 A0 FF F9 BD CF 01 00 00
{275} normal block at 0x000001CFBDFA65C0, 16 bytes long.
Data: <àkú½Ï > E0 6B FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CFBDFA66B0, 16 bytes long.
Data: <¸kú½Ï > B8 6B FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CFBDFA00C0, 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 0x000001CFBDFA5DF0, 16 bytes long.
Data: < kú½Ï > 90 6B FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CFBDFA0000, 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 0x000001CFBDFA6160, 16 bytes long.
Data: <Øjú½Ï > D8 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CFBDFA6570, 16 bytes long.
Data: <°jú½Ï > B0 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CFBDFA63E0, 16 bytes long.
Data: < jú½Ï > 88 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CFBDFA6930, 16 bytes long.
Data: <`jú½Ï > 60 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CFBDFA6070, 16 bytes long.
Data: <8jú½Ï > 38 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001CFBDFA61B0, 16 bytes long.
Data: < jú½Ï > 10 6A FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CFBDFA6520, 16 bytes long.
Data: <ðSú½Ï > F0 53 FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CFBDFA53F0, 40 bytes long.
Data: < eú½Ï à®»¿Ï > 20 65 FA BD CF 01 00 00 E0 AE BB BF CF 01 00 00
{261} normal block at 0x000001CFBDFA62F0, 16 bytes long.
Data: <ðiú½Ï > F0 69 FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CFBDFA5CB0, 16 bytes long.
Data: <Èiú½Ï > C8 69 FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001CFBDFA0480, 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 0x000001CFBDFA6340, 16 bytes long.
Data: < iú½Ï > A0 69 FA BD CF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CFBDFA69A0, 992 bytes long.
Data: <@cú½Ï ú½Ï > 40 63 FA BD CF 01 00 00 80 04 FA BD CF 01 00 00
{93} normal block at 0x000001CFBDFA0240, 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 0x000001CFBDF9DA40, 16 bytes long.
Data: < âø½Ï > 20 E2 F8 BD CF 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001CFBDF8E220, 40 bytes long.
Data: <@Úù½Ï @ ú½Ï > 40 DA F9 BD CF 01 00 00 40 02 FA BD CF 01 00 00
{70} normal block at 0x000001CFBDF9E300, 16 bytes long.
Data: < êìU÷ > 80 EA EC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CFBDF9D590, 16 bytes long.
Data: <@éìU÷ > 40 E9 EC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CFBDF9D3B0, 16 bytes long.
Data: <øWéU÷ > F8 57 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CFBDF9DB80, 16 bytes long.
Data: <ØWéU÷ > D8 57 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CFBDF9DFE0, 16 bytes long.
Data: <P éU÷ > 50 04 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CFBDF9E030, 16 bytes long.
Data: <0 éU÷ > 30 04 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CFBDF9D810, 16 bytes long.
Data: <à éU÷ > E0 02 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CFBDF9DCC0, 16 bytes long.
Data: < éU÷ > 10 04 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CFBDF9D540, 16 bytes long.
Data: <p éU÷ > 70 04 E9 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CFBDF9DBD0, 16 bytes long.
Data: < ÀçU÷ > 18 C0 E7 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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