Task 38622944
| Name | p38_A27_A18_r0_1-QUICO_ATM_GAFF2_NAGL_p38-4-6-RND5177_0 |
| Workunit | 31573629 |
| Created | 21 Apr 2026, 2:15:05 UTC |
| Sent | 21 Apr 2026, 2:15:07 UTC |
| Report deadline | 26 Apr 2026, 2:15:07 UTC |
| Received | 21 Apr 2026, 5:23:38 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627914 |
| Run time | 2 hours 55 min 22 sec |
| CPU time | 2 hours 55 min 22 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 84,059.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.20 MB |
| Peak swap size | 13.14 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
22:27:29 (19556): wrapper (7.9.26016): starting
22:27:29 (19556): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A18_0.pdb
QB_A27_A18_0.xml
QB_A27_A18.inpcrd
QB_A27_A18_input.yaml
QB_A27_A18.pdb
QB_A27_A18.prmtop
QB_A27_A18_sys.xml
run.bat
run.sh
22:27:30 (19556): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:27:30 (19556): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002291289FD90>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000229128B0850>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/pyaml/
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: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001DDA7E9A590>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ConnectTimeoutError(<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001DDA7E9AC90>, 'Connection to pypi.org timed out. (connect timeout=15)')': /simple/atom-openmm/
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
01:23:00 (19556): C:/Windows/system32/cmd.exe exited; CPU time 10522.000000
01:23:00 (19556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 231154199 bytes.
Dumping objects ->
{3835621} normal block at 0x000001D0F67976E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835610} normal block at 0x000001D0F6796B80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835599} normal block at 0x000001D0F6796F70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835588} normal block at 0x000001D0F67970C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835577} normal block at 0x000001D0F6797980, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835546} normal block at 0x000001D0F84016B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835535} normal block at 0x000001D0F84911A0, 102 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) : {3835532} normal block at 0x000001D0F66BE190, 8 bytes long.
Data: < döÐ > 00 00 64 F6 D0 01 00 00
{3834727} normal block at 0x000001D0F8490AC0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001D0F66BDFB0, 8 bytes long.
Data: <PŠPøÐ > 50 8A 50 F8 D0 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001D0F66B1050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D0F66B24F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001D0F66C80A0, 16 bytes long.
Data: < ŒlöÐ > 08 8C 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D0F66C84B0, 16 bytes long.
Data: <à‹löÐ > E0 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D0F66C0370, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001D0F66C81E0, 16 bytes long.
Data: <¸‹löÐ > B8 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D0F66C7C90, 16 bytes long.
Data: < ‹löÐ > 90 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D0F66C7C40, 16 bytes long.
Data: <h‹löÐ > 68 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D0F66C8140, 16 bytes long.
Data: <@‹löÐ > 40 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D0F66C6370, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001D0F66C8690, 16 bytes long.
Data: < köÐ > 18 0A 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D0F66BF710, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001D0F66C7B00, 16 bytes long.
Data: <ð köÐ > F0 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D0F66C8370, 16 bytes long.
Data: <È köÐ > C8 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D0F66C80F0, 16 bytes long.
Data: <  köÐ > A0 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D0F66C8640, 16 bytes long.
Data: <x köÐ > 78 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D0F66C8230, 16 bytes long.
Data: <P köÐ > 50 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D0F66C7A10, 16 bytes long.
Data: <( köÐ > 28 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D0F66C02B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001D0F66C8280, 16 bytes long.
Data: < köÐ > 00 09 6B F6 D0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D0F66B0900, 320 bytes long.
Data: < ‚löÐ ° löÐ > 80 82 6C F6 D0 01 00 00 B0 02 6C F6 D0 01 00 00
{280} normal block at 0x000001D0F66C7BA0, 16 bytes long.
Data: < ‹löÐ > 20 8B 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D0F66C7E70, 16 bytes long.
Data: <øŠlöÐ > F8 8A 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D0F66C0070, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001D0F66C8320, 16 bytes long.
Data: <ЊlöÐ > D0 8A 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D0F66BFB90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001D0F66C82D0, 16 bytes long.
Data: < ŠlöÐ > 18 8A 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D0F66C8460, 16 bytes long.
Data: <ð‰löÐ > F0 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D0F66C7BF0, 16 bytes long.
Data: <ȉlöÐ > C8 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D0F66C85F0, 16 bytes long.
Data: < ‰löÐ > A0 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D0F66C7AB0, 16 bytes long.
Data: <x‰löÐ > 78 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D0F66C8500, 16 bytes long.
Data: <P‰löÐ > 50 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D0F66C87D0, 16 bytes long.
Data: <ÀdlöÐ > C0 64 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D0F66C64C0, 40 bytes long.
Data: <ЇlöÐ ° @øÐ > D0 87 6C F6 D0 01 00 00 B0 16 40 F8 D0 01 00 00
{266} normal block at 0x000001D0F66C8050, 16 bytes long.
Data: <0‰löÐ > 30 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D0F66C8000, 16 bytes long.
Data: < ‰löÐ > 08 89 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D0F66BF770, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001D0F66C7B50, 16 bytes long.
Data: <à löÐ > E0 88 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D0F66C88E0, 992 bytes long.
Data: <P{löÐ p÷köÐ > 50 7B 6C F6 D0 01 00 00 70 F7 6B F6 D0 01 00 00
{98} normal block at 0x000001D0F66C0010, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001D0F66BD830, 16 bytes long.
Data: <ÐglöÐ > D0 67 6C F6 D0 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001D0F66C67D0, 40 bytes long.
Data: <0ØköÐ löÐ > 30 D8 6B F6 D0 01 00 00 10 00 6C F6 D0 01 00 00
{75} normal block at 0x000001D0F66BD7E0, 16 bytes long.
Data: < êKr÷ > 80 EA 4B 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D0F66BD650, 16 bytes long.
Data: <@éKr÷ > 40 E9 4B 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D0F66BD560, 16 bytes long.
Data: <øWHr÷ > F8 57 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D0F66BE230, 16 bytes long.
Data: <ØWHr÷ > D8 57 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D0F66BE370, 16 bytes long.
Data: <P Hr÷ > 50 04 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D0F66BE1E0, 16 bytes long.
Data: <0 Hr÷ > 30 04 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D0F66BD790, 16 bytes long.
Data: <à Hr÷ > E0 02 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D0F66BD6A0, 16 bytes long.
Data: < Hr÷ > 10 04 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D0F66BE2D0, 16 bytes long.
Data: <p Hr÷ > 70 04 48 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D0F66BDAB0, 16 bytes long.
Data: < ÀFr÷ > 18 C0 46 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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