Task 38665590
| Name | test_672-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND0280_0 |
| Workunit | 31608674 |
| Created | 25 Oct 2026, 1:15:11 UTC |
| Sent | 25 Oct 2026, 1:27:52 UTC |
| Report deadline | 30 Oct 2026, 1:27:52 UTC |
| Received | 25 Oct 2026, 8:28:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647178 |
| Run time | 3 hours 27 min 59 sec |
| CPU time | 3 hours 27 min 5 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 36,826.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.15 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:56:37 (67000): wrapper (7.9.26016): starting
04:56:37 (67000): 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
04:56:38 (67000): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:56:38 (67000): 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\31\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\31\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835602} normal block at 0x000001BFFD2E1090, 8 bytes long.
Data: < > 00 00 D3 FE BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x000001BFFD2CA0E0, 1080 bytes long.
Data: <,? 0 > 2C 3F 00 00 CD CD CD CD 30 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {350} normal block at 0x000001BFFD2D61D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:32:56 (21508): wrapper (7.9.26016): starting
05:32:56 (21508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\31\tmp already exists.
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
08:28:20 (21508): C:/Windows/system32/cmd.exe exited; CPU time 10484.375000
08:28:20 (21508): 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: 61344 bytes.
Total allocations: 390156899 bytes.
Dumping objects ->
{1998} normal block at 0x0000015A6F2B6810, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1987} normal block at 0x0000015A6F2B6260, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1976} normal block at 0x0000015A6F2B67A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1965} normal block at 0x0000015A6F2B6650, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1954} normal block at 0x0000015A6F2B6340, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1923} normal block at 0x0000015A6F2B9080, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1912} normal block at 0x0000015A6F2B8FD0, 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) : {1909} normal block at 0x0000015A6F2B1D50, 8 bytes long.
Data: < hoZ > 00 00 68 6F 5A 01 00 00
{1102} normal block at 0x0000015A6F2B8F20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{344} normal block at 0x0000015A6F2B1B70, 8 bytes long.
Data: < +oZ > 20 96 2B 6F 5A 01 00 00
{335} normal block at 0x0000015A6F2B8940, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{334} normal block at 0x0000015A6F2B1D00, 16 bytes long.
Data: <( +oZ > 28 95 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{333} normal block at 0x0000015A6F2B1CB0, 16 bytes long.
Data: < +oZ > 00 95 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{332} normal block at 0x0000015A6F2AEFA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{331} normal block at 0x0000015A6F2B1C60, 16 bytes long.
Data: < +oZ > D8 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{330} normal block at 0x0000015A6F2B1AD0, 16 bytes long.
Data: < +oZ > B0 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{329} normal block at 0x0000015A6F2B1C10, 16 bytes long.
Data: < +oZ > 88 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{328} normal block at 0x0000015A6F2B1A30, 16 bytes long.
Data: <` +oZ > 60 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{327} normal block at 0x0000015A6F2B6420, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{326} normal block at 0x0000015A6F2B19E0, 16 bytes long.
Data: < ;+oZ > 98 3B 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{325} normal block at 0x0000015A6F2AF000, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{324} normal block at 0x0000015A6F2B17B0, 16 bytes long.
Data: <p;+oZ > 70 3B 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{322} normal block at 0x0000015A6F2B1990, 16 bytes long.
Data: <H;+oZ > 48 3B 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{321} normal block at 0x0000015A6F2B2020, 16 bytes long.
Data: < ;+oZ > 20 3B 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{320} normal block at 0x0000015A6F2B1E40, 16 bytes long.
Data: < :+oZ > F8 3A 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{319} normal block at 0x0000015A6F2B15D0, 16 bytes long.
Data: < :+oZ > D0 3A 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{318} normal block at 0x0000015A6F2B1B20, 16 bytes long.
Data: < :+oZ > A8 3A 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{317} normal block at 0x0000015A6F2AEDC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{316} normal block at 0x0000015A6F2B1BC0, 16 bytes long.
Data: < :+oZ > 80 3A 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{315} normal block at 0x0000015A6F2B3A80, 320 bytes long.
Data: < +oZ *oZ > C0 1B 2B 6F 5A 01 00 00 C0 ED 2A 6F 5A 01 00 00
{314} normal block at 0x0000015A6F2B1440, 16 bytes long.
Data: <@ +oZ > 40 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{313} normal block at 0x0000015A6F2B14E0, 16 bytes long.
Data: < +oZ > 18 94 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{312} normal block at 0x0000015A6F2AEA60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{311} normal block at 0x0000015A6F2B1350, 16 bytes long.
Data: < +oZ > F0 93 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000015A6F2AED60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{309} normal block at 0x0000015A6F2B1940, 16 bytes long.
Data: <8 +oZ > 38 93 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000015A6F2B11C0, 16 bytes long.
Data: < +oZ > 10 93 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000015A6F2B1DF0, 16 bytes long.
Data: < +oZ > E8 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x0000015A6F2B10D0, 16 bytes long.
Data: < +oZ > C0 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000015A6F2B1170, 16 bytes long.
Data: < +oZ > 98 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000015A6F2B1120, 16 bytes long.
Data: <p +oZ > 70 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000015A6F2B1800, 16 bytes long.
Data: < `+oZ > A0 60 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000015A6F2B60A0, 40 bytes long.
Data: < +oZ +oZ > 00 18 2B 6F 5A 01 00 00 80 90 2B 6F 5A 01 00 00
{300} normal block at 0x0000015A6F2B12B0, 16 bytes long.
Data: <P +oZ > 50 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000015A6F2B1760, 16 bytes long.
Data: <( +oZ > 28 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015A6F2AE880, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{297} normal block at 0x0000015A6F2B1670, 16 bytes long.
Data: < +oZ > 00 92 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000015A6F2B9200, 992 bytes long.
Data: <p +oZ *oZ > 70 16 2B 6F 5A 01 00 00 80 E8 2A 6F 5A 01 00 00
{132} normal block at 0x0000015A6F2AE760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{131} normal block at 0x0000015A6F2B18A0, 16 bytes long.
Data: <`B+oZ > 60 42 2B 6F 5A 01 00 00 00 00 00 00 00 00 00 00
{130} normal block at 0x0000015A6F2B4260, 40 bytes long.
Data: < +oZ ` *oZ > A0 18 2B 6F 5A 01 00 00 60 E7 2A 6F 5A 01 00 00
{109} normal block at 0x0000015A6F2B1850, 16 bytes long.
Data: < s > 80 EA 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{108} normal block at 0x0000015A6F29EC30, 16 bytes long.
Data: <@ s > 40 E9 73 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{107} normal block at 0x0000015A6F29F9F0, 16 bytes long.
Data: < Wp > F8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x0000015A6F29F950, 16 bytes long.
Data: < Wp > D8 57 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000015A6F29F900, 16 bytes long.
Data: <P p > 50 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{104} normal block at 0x0000015A6F29F8B0, 16 bytes long.
Data: <0 p > 30 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{103} normal block at 0x0000015A6F29F770, 16 bytes long.
Data: < p > E0 02 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{102} normal block at 0x0000015A6F29F720, 16 bytes long.
Data: < p > 10 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x0000015A6F29EBE0, 16 bytes long.
Data: <p p > 70 04 70 C7 F6 7F 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000015A6F29F540, 16 bytes long.
Data: < n > 18 C0 6E C7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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