Task 38599688
| Name | p38_A08_A01_r0_4-QUICO_ATM_GAFF2_NAGL_p38-1-6-RND3246_1 |
| Workunit | 31554542 |
| Created | 8 Apr 2026, 20:10:09 UTC |
| Sent | 8 Apr 2026, 20:10:41 UTC |
| Report deadline | 13 Apr 2026, 20:10:41 UTC |
| Received | 9 Apr 2026, 1:22:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627976 |
| Run time | 5 hours 10 min 22 sec |
| CPU time | 5 hours 10 min 22 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,319.98 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.79 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.08 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:16:11 (33724): wrapper (7.9.26016): starting
13:16:11 (33724): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A08_A01_0.pdb
QB_A08_A01_0.xml
QB_A08_A01.inpcrd
QB_A08_A01_input.yaml
QB_A08_A01.pdb
QB_A08_A01.prmtop
QB_A08_A01_sys.xml
run.bat
run.sh
13:16:13 (33724): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:16:13 (33724): 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 'D:\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 'D:\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
18:21:10 (33724): C:/Windows/system32/cmd.exe exited; CPU time 18622.250000
18:21:10 (33724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 295258465 bytes.
Dumping objects ->
{3835313} normal block at 0x0000023298BA6210, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835302} normal block at 0x000002329A891700, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835291} normal block at 0x000002329A8923C0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835280} normal block at 0x000002329A891BE0, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835269} normal block at 0x000002329A8913A0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835238} normal block at 0x0000023298BA6280, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835227} normal block at 0x0000023298BFBDD0, 140 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) : {3835224} normal block at 0x0000023298B9DEF0, 8 bytes long.
Data: < ± 2 > 00 00 B1 98 32 02 00 00
{3834576} normal block at 0x0000023298BFD080, 140 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 0x0000023298B9E4E0, 8 bytes long.
Data: < GŠš2 > 80 47 8A 9A 32 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000023298B91340, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023298B92350, 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 0x0000023298BA6FD0, 16 bytes long.
Data: <Èwº 2 > C8 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023298BA65D0, 16 bytes long.
Data: < wº 2 > A0 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023298BA23B0, 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 0x0000023298BA6580, 16 bytes long.
Data: <xwº 2 > 78 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023298BA6E40, 16 bytes long.
Data: <Pwº 2 > 50 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023298BA6DF0, 16 bytes long.
Data: <(wº 2 > 28 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023298BA6530, 16 bytes long.
Data: < wº 2 > 00 77 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023298BA60C0, 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 0x0000023298BA6EE0, 16 bytes long.
Data: <H´¸ 2 > 48 B4 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023298BA1CF0, 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 0x0000023298BA7070, 16 bytes long.
Data: < ´¸ 2 > 20 B4 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023298BA6D50, 16 bytes long.
Data: <ø³¸ 2 > F8 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023298BA6D00, 16 bytes long.
Data: <г¸ 2 > D0 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023298BA7390, 16 bytes long.
Data: <¨³¸ 2 > A8 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023298BA6990, 16 bytes long.
Data: < ³¸ 2 > 80 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023298BA7110, 16 bytes long.
Data: <X³¸ 2 > 58 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023298BA1E10, 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 0x0000023298BA71B0, 16 bytes long.
Data: <0³¸ 2 > 30 B3 B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023298B8B330, 320 bytes long.
Data: <°qº 2 º 2 > B0 71 BA 98 32 02 00 00 10 1E BA 98 32 02 00 00
{275} normal block at 0x0000023298BA6DA0, 16 bytes long.
Data: <àvº 2 > E0 76 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023298BA6A80, 16 bytes long.
Data: <¸vº 2 > B8 76 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023298BA1BD0, 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 0x0000023298BA7020, 16 bytes long.
Data: < vº 2 > 90 76 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023298BA21D0, 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 0x0000023298BA6F30, 16 bytes long.
Data: <Øuº 2 > D8 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023298BA6940, 16 bytes long.
Data: <°uº 2 > B0 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023298BA68F0, 16 bytes long.
Data: < uº 2 > 88 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023298BA6B70, 16 bytes long.
Data: <`uº 2 > 60 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023298BA67B0, 16 bytes long.
Data: <8uº 2 > 38 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023298BA7340, 16 bytes long.
Data: < uº 2 > 10 75 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023298BA7250, 16 bytes long.
Data: < aº 2 > A0 61 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023298BA61A0, 40 bytes long.
Data: <Prº 2 bº 2 > 50 72 BA 98 32 02 00 00 80 62 BA 98 32 02 00 00
{261} normal block at 0x0000023298BA6C60, 16 bytes long.
Data: <ðtº 2 > F0 74 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023298BA73E0, 16 bytes long.
Data: <Ètº 2 > C8 74 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023298BA2350, 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 0x0000023298BA72F0, 16 bytes long.
Data: < tº 2 > A0 74 BA 98 32 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000023298BA74A0, 992 bytes long.
Data: <ðrº 2 P#º 2 > F0 72 BA 98 32 02 00 00 50 23 BA 98 32 02 00 00
{93} normal block at 0x0000023298BA1B70, 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 0x0000023298B9E210, 16 bytes long.
Data: <`í¸ 2 > 60 ED B8 98 32 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000023298B8ED60, 40 bytes long.
Data: < â¹ 2 p º 2 > 10 E2 B9 98 32 02 00 00 70 1B BA 98 32 02 00 00
{70} normal block at 0x0000023298B9E170, 16 bytes long.
Data: < ê üö > 80 EA 81 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023298B9EE40, 16 bytes long.
Data: <@é üö > 40 E9 81 FC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023298B9E300, 16 bytes long.
Data: <øW~üö > F8 57 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023298B9E0D0, 16 bytes long.
Data: <ØW~üö > D8 57 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023298B9E440, 16 bytes long.
Data: <P ~üö > 50 04 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023298B9E6C0, 16 bytes long.
Data: <0 ~üö > 30 04 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023298B9E3A0, 16 bytes long.
Data: <à ~üö > E0 02 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023298B9ED00, 16 bytes long.
Data: < ~üö > 10 04 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023298B9E490, 16 bytes long.
Data: <p ~üö > 70 04 7E FC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023298B9E080, 16 bytes long.
Data: < À|üö > 18 C0 7C FC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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