Task 38667285
| Name | test_749-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND1962_0 |
| Workunit | 31609935 |
| Created | 25 Oct 2026, 7:13:24 UTC |
| Sent | 25 Oct 2026, 7:13:32 UTC |
| Report deadline | 30 Oct 2026, 7:13:32 UTC |
| Received | 25 Oct 2026, 7:55:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646373 |
| Run time | 34 min |
| CPU time | 31 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.71 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:21:03 (15016): wrapper (7.9.26016): starting
03:21:03 (15016): 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
03:21:04 (15016): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:21:04 (15016): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
03:54:25 (15016): C:/Windows/system32/cmd.exe exited; CPU time 1911.484375
03:54:25 (15016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 26860379 bytes.
Dumping objects ->
{3835514} normal block at 0x00000238C54A4650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835503} normal block at 0x00000238C54A45E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835492} normal block at 0x00000238C54A4500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835481} normal block at 0x00000238C54A4420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835470} normal block at 0x00000238C54A43B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835439} normal block at 0x00000238C71193B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835426} normal block at 0x00000238C549E380, 8 bytes long.
Data: < êÆ8 > 00 00 EA C6 38 02 00 00
{3833959} normal block at 0x00000238C549E0B0, 8 bytes long.
Data: < r Ç8 > 90 72 10 C7 38 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000238C54A0670, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000238C548F040, 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 0x00000238C54A5020, 16 bytes long.
Data: <(aJÅ8 > 28 61 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000238C54A5CF0, 16 bytes long.
Data: < aJÅ8 > 00 61 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000238C549FE60, 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 0x00000238C54A5BB0, 16 bytes long.
Data: <Ø`JÅ8 > D8 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000238C54A5CA0, 16 bytes long.
Data: <°`JÅ8 > B0 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000238C54A5AC0, 16 bytes long.
Data: < `JÅ8 > 88 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000238C54A59D0, 16 bytes long.
Data: <``JÅ8 > 60 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000238C54A4030, 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 0x00000238C54A5980, 16 bytes long.
Data: <XµHÅ8 > 58 B5 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000238C549FE00, 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 0x00000238C54A5B10, 16 bytes long.
Data: <0µHÅ8 > 30 B5 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000238C54A57F0, 16 bytes long.
Data: < µHÅ8 > 08 B5 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000238C54A57A0, 16 bytes long.
Data: <à´HÅ8 > E0 B4 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000238C54A5930, 16 bytes long.
Data: <¸´HÅ8 > B8 B4 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000238C54A5700, 16 bytes long.
Data: < ´HÅ8 > 90 B4 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000238C54A58E0, 16 bytes long.
Data: <h´HÅ8 > 68 B4 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000238C549F0E0, 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 0x00000238C54A5520, 16 bytes long.
Data: <@´HÅ8 > 40 B4 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000238C548B440, 320 bytes long.
Data: < UJÅ8 àðIÅ8 > 20 55 4A C5 38 02 00 00 E0 F0 49 C5 38 02 00 00
{275} normal block at 0x00000238C54A5C00, 16 bytes long.
Data: <@`JÅ8 > 40 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000238C54A52A0, 16 bytes long.
Data: < `JÅ8 > 18 60 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000238C549F3E0, 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 0x00000238C54A5200, 16 bytes long.
Data: <ð_JÅ8 > F0 5F 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000238C549F320, 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 0x00000238C54A5570, 16 bytes long.
Data: <8_JÅ8 > 38 5F 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000238C54A5A20, 16 bytes long.
Data: < _JÅ8 > 10 5F 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000238C54A5890, 16 bytes long.
Data: <è^JÅ8 > E8 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000238C54A56B0, 16 bytes long.
Data: <À^JÅ8 > C0 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000238C54A5A70, 16 bytes long.
Data: < ^JÅ8 > 98 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000238C54A5160, 16 bytes long.
Data: <p^JÅ8 > 70 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000238C54A5750, 16 bytes long.
Data: <`BJÅ8 > 60 42 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000238C54A4260, 40 bytes long.
Data: <PWJÅ8 °“ Ç8 > 50 57 4A C5 38 02 00 00 B0 93 11 C7 38 02 00 00
{261} normal block at 0x00000238C54A54D0, 16 bytes long.
Data: <P^JÅ8 > 50 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000238C54A51B0, 16 bytes long.
Data: <(^JÅ8 > 28 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000238C549FC80, 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 0x00000238C54A5660, 16 bytes long.
Data: < ^JÅ8 > 00 5E 4A C5 38 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000238C54A5E00, 992 bytes long.
Data: <`VJÅ8 üIÅ8 > 60 56 4A C5 38 02 00 00 80 FC 49 C5 38 02 00 00
{93} normal block at 0x00000238C549FBC0, 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 0x00000238C549E830, 16 bytes long.
Data: <ÀÆHÅ8 > C0 C6 48 C5 38 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000238C548C6C0, 40 bytes long.
Data: <0èIÅ8 ÀûIÅ8 > 30 E8 49 C5 38 02 00 00 C0 FB 49 C5 38 02 00 00
{70} normal block at 0x00000238C549E3D0, 16 bytes long.
Data: < êèÍ÷ > 80 EA E8 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000238C549EAB0, 16 bytes long.
Data: <@éèÍ÷ > 40 E9 E8 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000238C549E330, 16 bytes long.
Data: <øWåÍ÷ > F8 57 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000238C549E600, 16 bytes long.
Data: <ØWåÍ÷ > D8 57 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000238C549ECE0, 16 bytes long.
Data: <P åÍ÷ > 50 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000238C549EC40, 16 bytes long.
Data: <0 åÍ÷ > 30 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000238C549E060, 16 bytes long.
Data: <à åÍ÷ > E0 02 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000238C549EEC0, 16 bytes long.
Data: < åÍ÷ > 10 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000238C549EA60, 16 bytes long.
Data: <p åÍ÷ > 70 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000238C549EBA0, 16 bytes long.
Data: < ÀãÍ÷ > 18 C0 E3 CD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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