Task 38686473
| Name | test_142-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0602_0 |
| Workunit | 31627905 |
| Created | 28 Oct 2026, 2:46:47 UTC |
| Sent | 28 Oct 2026, 2:46:54 UTC |
| Report deadline | 2 Nov 2026, 2:46:54 UTC |
| Received | 28 Oct 2026, 3:13:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 24 min 35 sec |
| CPU time | 23 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.09 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:48:58 (22864): wrapper (7.9.26016): starting
11:48:58 (22864): 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
11:48:59 (22864): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:48:59 (22864): 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\2\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\2\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
12:12:37 (22864): C:/Windows/system32/cmd.exe exited; CPU time 1387.765625
12:12:37 (22864): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 27558927 bytes.
Dumping objects ->
{3835342} normal block at 0x000001FBC7988120, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835331} normal block at 0x000001FBC5904850, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000001FBC5904690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835309} normal block at 0x000001FBC59045B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000001FBC5904770, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835267} normal block at 0x000001FBC7995E90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000001FBC595AAB0, 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) : {3835253} normal block at 0x000001FBC58FE6D0, 8 bytes long.
Data: < > 00 00 8B C5 FB 01 00 00
{3834654} normal block at 0x000001FBC595BD60, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x000001FBC58FE9F0, 8 bytes long.
Data: <` > 60 EB 9D C5 FB 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FBC59005B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FBC58EEC10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001FBC5905F90, 16 bytes long.
Data: <xe > 78 65 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FBC5905F40, 16 bytes long.
Data: <Pe > 50 65 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FBC58FF8A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001FBC5905950, 16 bytes long.
Data: <(e > 28 65 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FBC5905630, 16 bytes long.
Data: < e > 00 65 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FBC5905900, 16 bytes long.
Data: < d > D8 64 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FBC5905680, 16 bytes long.
Data: < d > B0 64 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FBC5904B60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001FBC59058B0, 16 bytes long.
Data: < > B8 8B 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FBC58FFB40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001FBC5905C70, 16 bytes long.
Data: < > 90 8B 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FBC5905C20, 16 bytes long.
Data: <h > 68 8B 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FBC5905E00, 16 bytes long.
Data: <@ > 40 8B 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FBC5905D10, 16 bytes long.
Data: < > 18 8B 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FBC5905EF0, 16 bytes long.
Data: < > F0 8A 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FBC5905180, 16 bytes long.
Data: < > C8 8A 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FBC58FF720, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001FBC5905B30, 16 bytes long.
Data: < > A0 8A 8F C5 FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FBC58F8AA0, 320 bytes long.
Data: <0[ > 30 5B 90 C5 FB 01 00 00 20 F7 8F C5 FB 01 00 00
{279} normal block at 0x000001FBC5905DB0, 16 bytes long.
Data: < d > 90 64 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FBC59052C0, 16 bytes long.
Data: <hd > 68 64 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FBC58FFAE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001FBC5905860, 16 bytes long.
Data: <@d > 40 64 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FBC58FFDE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001FBC5905EA0, 16 bytes long.
Data: < c > 88 63 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FBC5905CC0, 16 bytes long.
Data: <`c > 60 63 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FBC5905E50, 16 bytes long.
Data: <8c > 38 63 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FBC5905450, 16 bytes long.
Data: < c > 10 63 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FBC5905770, 16 bytes long.
Data: < b > E8 62 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FBC5905220, 16 bytes long.
Data: < b > C0 62 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FBC59056D0, 16 bytes long.
Data: < J > 10 4A 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FBC5904A10, 40 bytes long.
Data: < V ^ > D0 56 90 C5 FB 01 00 00 90 5E 99 C7 FB 01 00 00
{265} normal block at 0x000001FBC5905720, 16 bytes long.
Data: < b > A0 62 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FBC5905FE0, 16 bytes long.
Data: <xb > 78 62 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FBC58FF9C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001FBC59057C0, 16 bytes long.
Data: <Pb > 50 62 90 C5 FB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FBC5906250, 992 bytes long.
Data: < W > C0 57 90 C5 FB 01 00 00 C0 F9 8F C5 FB 01 00 00
{97} normal block at 0x000001FBC58FFA80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001FBC58FF0D0, 16 bytes long.
Data: <@ > 40 B6 8E C5 FB 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FBC58EB640, 40 bytes long.
Data: < > D0 F0 8F C5 FB 01 00 00 80 FA 8F C5 FB 01 00 00
{72} normal block at 0x000001FBC58FF490, 16 bytes long.
Data: < S > 80 EA 86 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FBC58FF1C0, 16 bytes long.
Data: <@ S > 40 E9 86 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FBC58FF3F0, 16 bytes long.
Data: < W S > F8 57 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FBC58FE950, 16 bytes long.
Data: < W S > D8 57 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FBC58FE9A0, 16 bytes long.
Data: <P S > 50 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FBC58FE590, 16 bytes long.
Data: <0 S > 30 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FBC58FF350, 16 bytes long.
Data: < S > E0 02 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FBC58FF210, 16 bytes long.
Data: < S > 10 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FBC58FE680, 16 bytes long.
Data: <p S > 70 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FBC58FE810, 16 bytes long.
Data: < S > 18 C0 81 53 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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