Task 38688310
| Name | test_107-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5431_0 |
| Workunit | 31629666 |
| Created | 28 Oct 2026, 13:05:05 UTC |
| Sent | 28 Oct 2026, 13:05:08 UTC |
| Report deadline | 2 Nov 2026, 13:05:08 UTC |
| Received | 28 Oct 2026, 14:30:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 583368 |
| Run time | 42 min 13 sec |
| CPU time | 40 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 705.93 MB |
| Peak swap size | 9.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:49:10 (30676): wrapper (7.9.26016): starting
14:49:10 (30676): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:49:11 (30676): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:49:11 (30676): 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:\ProgramData\BOINC\slots\12\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:\ProgramData\BOINC\slots\12\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:30:06 (30676): C:/Windows/system32/cmd.exe exited; CPU time 2456.359375
15:30:06 (30676): 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: 45056959 bytes.
Dumping objects ->
{3835207} normal block at 0x0000016EDC014850, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x0000016EDC0147E0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000016EDC014A10, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835174} normal block at 0x0000016EDC014AF0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x0000016EDC0149A0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835132} normal block at 0x0000016EDDD677A0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x0000016EDDD7DC60, 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) : {3835118} normal block at 0x0000016EDC00E580, 8 bytes long.
Data: < þÛn > 00 00 FE DB 6E 01 00 00
{3834522} normal block at 0x0000016EDDD7E080, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000016EDC00E120, 8 bytes long.
Data: < TÜÝn > 80 54 DC DD 6E 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016EDC0102D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016EDC005A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000016EDC015B00, 16 bytes long.
Data: < a Ün > 18 61 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016EDC015740, 16 bytes long.
Data: <ð` Ün > F0 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016EDC00F220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000016EDC015C40, 16 bytes long.
Data: <È` Ün > C8 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016EDC015420, 16 bytes long.
Data: < ` Ün > A0 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016EDC0151F0, 16 bytes long.
Data: <x` Ün > 78 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016EDC014E80, 16 bytes long.
Data: <P` Ün > 50 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016EDC0148C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000016EDC015510, 16 bytes long.
Data: <ÈýÿÛn > C8 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016EDC00FD00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000016EDC0150B0, 16 bytes long.
Data: < ýÿÛn > A0 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016EDC015060, 16 bytes long.
Data: <xýÿÛn > 78 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016EDC015970, 16 bytes long.
Data: <PýÿÛn > 50 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016EDC015BA0, 16 bytes long.
Data: <(ýÿÛn > 28 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016EDC015650, 16 bytes long.
Data: < ýÿÛn > 00 FD FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016EDC0153D0, 16 bytes long.
Data: <ØüÿÛn > D8 FC FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016EDC00F340, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000016EDC015B50, 16 bytes long.
Data: <°üÿÛn > B0 FC FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016EDBFFFCB0, 320 bytes long.
Data: <P[ Ün @ó Ün > 50 5B 01 DC 6E 01 00 00 40 F3 00 DC 6E 01 00 00
{269} normal block at 0x0000016EDC015A60, 16 bytes long.
Data: <0` Ün > 30 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016EDC015CE0, 16 bytes long.
Data: < ` Ün > 08 60 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016EDC00FB20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000016EDC015330, 16 bytes long.
Data: <à_ Ün > E0 5F 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016EDC00F880, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000016EDC0151A0, 16 bytes long.
Data: <(_ Ün > 28 5F 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016EDC0155B0, 16 bytes long.
Data: < _ Ün > 00 5F 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016EDC0154C0, 16 bytes long.
Data: <Ø^ Ün > D8 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016EDC0156F0, 16 bytes long.
Data: <°^ Ün > B0 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016EDC015790, 16 bytes long.
Data: < ^ Ün > 88 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016EDC015920, 16 bytes long.
Data: <`^ Ün > 60 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016EDC015A10, 16 bytes long.
Data: <`K Ün > 60 4B 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016EDC014B60, 40 bytes long.
Data: < Z Ün  wÖÝn > 10 5A 01 DC 6E 01 00 00 A0 77 D6 DD 6E 01 00 00
{255} normal block at 0x0000016EDC015150, 16 bytes long.
Data: <@^ Ün > 40 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016EDC015AB0, 16 bytes long.
Data: < ^ Ün > 18 5E 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000016EDC00FE80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000016EDC015380, 16 bytes long.
Data: <ð] Ün > F0 5D 01 DC 6E 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000016EDC015DF0, 992 bytes long.
Data: < S Ün þ Ün > 80 53 01 DC 6E 01 00 00 80 FE 00 DC 6E 01 00 00
{87} normal block at 0x0000016EDC00FB80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000016EDC00E3A0, 16 bytes long.
Data: < ÆÿÛn > 20 C6 FF DB 6E 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000016EDBFFC620, 40 bytes long.
Data: < ã Ün û Ün > A0 E3 00 DC 6E 01 00 00 80 FB 00 DC 6E 01 00 00
{64} normal block at 0x0000016EDC00EDA0, 16 bytes long.
Data: < ên9÷ > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016EDC00E8F0, 16 bytes long.
Data: <@én9÷ > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016EDC00EC60, 16 bytes long.
Data: <øWk9÷ > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016EDC00EDF0, 16 bytes long.
Data: <ØWk9÷ > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016EDC00ED50, 16 bytes long.
Data: <P k9÷ > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016EDC00E8A0, 16 bytes long.
Data: <0 k9÷ > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016EDC00E0D0, 16 bytes long.
Data: <à k9÷ > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016EDC00E940, 16 bytes long.
Data: < k9÷ > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016EDC00E350, 16 bytes long.
Data: <p k9÷ > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000016EDC00E710, 16 bytes long.
Data: < Ài9÷ > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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