Task 38640291
| Name | shp2_A24_A06_r0_4-QUICO_ATM_GAFF2_NAGL_shp2-3-6-RND3345_1 |
| Workunit | 31587665 |
| Created | 1 May 2026, 11:20:52 UTC |
| Sent | 1 May 2026, 11:21:07 UTC |
| Report deadline | 6 May 2026, 11:21:07 UTC |
| Received | 3 May 2026, 10:29:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610880 |
| Run time | 1 days 2 hours 38 min 8 sec |
| CPU time | 1 days 2 hours 38 min 8 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 8,879.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 892.83 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.23 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
10:10:27 (16860): wrapper (7.9.26016): starting
10:10:27 (16860): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A06_0.pdb
QB_A24_A06_0.xml
QB_A24_A06.inpcrd
QB_A24_A06_input.yaml
QB_A24_A06.pdb
QB_A24_A06.prmtop
QB_A24_A06_sys.xml
run.bat
run.sh
10:10:29 (16860): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:10:29 (16860): 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 'E:\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 'E:\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
12:29:06 (16860): C:/Windows/system32/cmd.exe exited; CPU time 95888.015625
12:29:06 (16860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
376 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: 1312126659 bytes.
Dumping objects ->
{3835314} normal block at 0x00000247E9F76B50, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835303} normal block at 0x00000247EBD13530, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835292} normal block at 0x00000247EBD12CF0, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835281} normal block at 0x00000247EBD13410, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835270} normal block at 0x00000247EBD12AB0, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835239} normal block at 0x00000247E9F76A70, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835228} normal block at 0x00000247EBCDF390, 100 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) : {3835225} normal block at 0x00000247E9F6DD00, 8 bytes long.
Data: < 9êG > 00 00 39 EA 47 02 00 00
{3834578} normal block at 0x00000247EBCDDE50, 100 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000247E9F6DCB0, 8 bytes long.
Data: <`ÏõéG > 60 CF F5 E9 47 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000247E9F60B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000247E9F62350, 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 0x00000247E9F77E40, 16 bytes long.
Data: <ø„÷éG > F8 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000247E9F77300, 16 bytes long.
Data: <Є÷éG > D0 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000247E9F70DC0, 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 0x00000247E9F77940, 16 bytes long.
Data: <¨„÷éG > A8 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000247E9F780C0, 16 bytes long.
Data: < „÷éG > 80 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000247E9F78110, 16 bytes long.
Data: <X„÷éG > 58 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000247E9F77DF0, 16 bytes long.
Data: <0„÷éG > 30 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000247E9F76AE0, 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 0x00000247E9F77DA0, 16 bytes long.
Data: <xòõéG > 78 F2 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000247E9F71000, 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 0x00000247E9F77FD0, 16 bytes long.
Data: <PòõéG > 50 F2 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000247E9F778F0, 16 bytes long.
Data: <(òõéG > 28 F2 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000247E9F77490, 16 bytes long.
Data: < òõéG > 00 F2 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000247E9F772B0, 16 bytes long.
Data: <ØñõéG > D8 F1 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000247E9F77AD0, 16 bytes long.
Data: <°ñõéG > B0 F1 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000247E9F77B20, 16 bytes long.
Data: < ñõéG > 88 F1 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000247E9F714E0, 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 0x00000247E9F77620, 16 bytes long.
Data: <`ñõéG > 60 F1 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000247E9F5F160, 320 bytes long.
Data: < v÷éG à ÷éG > 20 76 F7 E9 47 02 00 00 E0 14 F7 E9 47 02 00 00
{274} normal block at 0x00000247E9F78020, 16 bytes long.
Data: < „÷éG > 10 84 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000247E9F77CB0, 16 bytes long.
Data: <èƒ÷éG > E8 83 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000247E9F71120, 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 0x00000247E9F77F80, 16 bytes long.
Data: <Àƒ÷éG > C0 83 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000247E9F71300, 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 0x00000247E9F77A80, 16 bytes long.
Data: < ƒ÷éG > 08 83 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000247E9F77C60, 16 bytes long.
Data: <à‚÷éG > E0 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000247E9F77990, 16 bytes long.
Data: <¸‚÷éG > B8 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000247E9F77EE0, 16 bytes long.
Data: < ‚÷éG > 90 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000247E9F77BC0, 16 bytes long.
Data: <h‚÷éG > 68 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000247E9F77A30, 16 bytes long.
Data: <@‚÷éG > 40 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000247E9F778A0, 16 bytes long.
Data: <@h֎G > 40 68 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000247E9F76840, 40 bytes long.
Data: < x÷éG pj÷éG > A0 78 F7 E9 47 02 00 00 70 6A F7 E9 47 02 00 00
{260} normal block at 0x00000247E9F77C10, 16 bytes long.
Data: < ‚÷éG > 20 82 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000247E9F777B0, 16 bytes long.
Data: <ø ÷éG > F8 81 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000247E9F716C0, 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 0x00000247E9F77800, 16 bytes long.
Data: <Ð ÷éG > D0 81 F7 E9 47 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000247E9F781D0, 992 bytes long.
Data: < x÷éG À ÷éG > 00 78 F7 E9 47 02 00 00 C0 16 F7 E9 47 02 00 00
{92} normal block at 0x00000247E9F70880, 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 0x00000247E9F6DF30, 16 bytes long.
Data: < ÄõéG > 10 C4 F5 E9 47 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000247E9F5C410, 40 bytes long.
Data: <0ßöéG ÷éG > 30 DF F6 E9 47 02 00 00 80 08 F7 E9 47 02 00 00
{69} normal block at 0x00000247E9F6D170, 16 bytes long.
Data: < êè;÷ > 80 EA E8 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000247E9F6DC60, 16 bytes long.
Data: <@éè;÷ > 40 E9 E8 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000247E9F6DB20, 16 bytes long.
Data: <øWå;÷ > F8 57 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000247E9F6DAD0, 16 bytes long.
Data: <ØWå;÷ > D8 57 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000247E9F6D490, 16 bytes long.
Data: <P å;÷ > 50 04 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000247E9F6D440, 16 bytes long.
Data: <0 å;÷ > 30 04 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000247E9F6DDF0, 16 bytes long.
Data: <à å;÷ > E0 02 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000247E9F6D620, 16 bytes long.
Data: < å;÷ > 10 04 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000247E9F6D3F0, 16 bytes long.
Data: <p å;÷ > 70 04 E5 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000247E9F6DC10, 16 bytes long.
Data: < Àã;÷ > 18 C0 E3 3B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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