Task 38677809
| Name | test_215-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND1937_0 |
| Workunit | 31619665 |
| Created | 26 Oct 2026, 15:28:25 UTC |
| Sent | 26 Oct 2026, 15:28:28 UTC |
| Report deadline | 31 Oct 2026, 15:28:28 UTC |
| Received | 26 Oct 2026, 16:00:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629480 |
| Run time | 26 min 23 sec |
| CPU time | 24 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,590.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.38 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:31:39 (2288): wrapper (7.9.26016): starting
10:31:39 (2288): 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
10:31:40 (2288): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:31:40 (2288): 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\1\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\1\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) : {3835431} normal block at 0x0000021AE221F010, 8 bytes long.
Data: < > 00 00 1C E2 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000021AE40859A0, 1080 bytes long.
Data: < > D4 9D 00 00 CD CD CD CD E8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000021AE22207C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:45:59 (8396): wrapper (7.9.26016): starting
10:45:59 (8396): 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\1\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
11:00:06 (8396): C:/Windows/system32/cmd.exe exited; CPU time 832.343750
11:00:06 (8396): 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: 16072360 bytes.
Dumping objects ->
{1865} normal block at 0x0000021CFBE94D00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x0000021CFBE94C20, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x0000021CFBE94BB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x0000021CFBE94980, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x0000021CFBE94A60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x0000021CFBE89080, 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) : {1777} normal block at 0x0000021CFBE96060, 8 bytes long.
Data: < > 00 00 E3 FB 1C 02 00 00
{305} normal block at 0x0000021CFBE95890, 8 bytes long.
Data: < f > D0 66 E9 FB 1C 02 00 00
{296} normal block at 0x0000021CFBE862D0, 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 0x0000021CFBE95980, 16 bytes long.
Data: < e > D8 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000021CFBE95750, 16 bytes long.
Data: < e > B0 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000021CFBE8FC90, 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 0x0000021CFBE95A70, 16 bytes long.
Data: < e > 88 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000021CFBE95E80, 16 bytes long.
Data: <`e > 60 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000021CFBE954D0, 16 bytes long.
Data: <8e > 38 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000021CFBE95BB0, 16 bytes long.
Data: < e > 10 65 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000021CFBE948A0, 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 0x0000021CFBE960B0, 16 bytes long.
Data: < > E8 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000021CFBE8FED0, 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 0x0000021CFBE957A0, 16 bytes long.
Data: < > C0 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000021CFBE95ED0, 16 bytes long.
Data: < > 98 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000021CFBE95A20, 16 bytes long.
Data: <p > 70 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000021CFBE95FC0, 16 bytes long.
Data: <H > 48 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000021CFBE96240, 16 bytes long.
Data: < > 20 B5 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000021CFBE95700, 16 bytes long.
Data: < > F8 B4 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000021CFBE905F0, 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 0x0000021CFBE956B0, 16 bytes long.
Data: < > D0 B4 E7 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000021CFBE7B4D0, 320 bytes long.
Data: < V > B0 56 E9 FB 1C 02 00 00 F0 05 E9 FB 1C 02 00 00
{275} normal block at 0x0000021CFBE961F0, 16 bytes long.
Data: < d > F0 64 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000021CFBE95660, 16 bytes long.
Data: < d > C8 64 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000021CFBE90110, 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 0x0000021CFBE95610, 16 bytes long.
Data: < d > A0 64 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000021CFBE8F990, 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 0x0000021CFBE961A0, 16 bytes long.
Data: < c > E8 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000021CFBE955C0, 16 bytes long.
Data: < c > C0 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000021CFBE95E30, 16 bytes long.
Data: < c > 98 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000021CFBE96150, 16 bytes long.
Data: <pc > 70 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000021CFBE95520, 16 bytes long.
Data: <Hc > 48 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000021CFBE96010, 16 bytes long.
Data: < c > 20 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000021CFBE95D90, 16 bytes long.
Data: <@K > 40 4B E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000021CFBE94B40, 40 bytes long.
Data: < ] > 90 5D E9 FB 1C 02 00 00 80 90 E8 FB 1C 02 00 00
{261} normal block at 0x0000021CFBE95570, 16 bytes long.
Data: < c > 00 63 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000021CFBE95CA0, 16 bytes long.
Data: < b > D8 62 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000021CFBE903B0, 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 0x0000021CFBE957F0, 16 bytes long.
Data: < b > B0 62 E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000021CFBE962B0, 992 bytes long.
Data: < W > F0 57 E9 FB 1C 02 00 00 B0 03 E9 FB 1C 02 00 00
{93} normal block at 0x0000021CFBE8FDB0, 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 0x0000021CFBE8EF70, 16 bytes long.
Data: <pM > 70 4D E9 FB 1C 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000021CFBE94D70, 40 bytes long.
Data: <p > 70 EF E8 FB 1C 02 00 00 B0 FD E8 FB 1C 02 00 00
{70} normal block at 0x0000021CFBE8E930, 16 bytes long.
Data: < ? > 80 EA 3F 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000021CFBE8F560, 16 bytes long.
Data: <@ ? > 40 E9 3F 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000021CFBE8F6A0, 16 bytes long.
Data: < W< > F8 57 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000021CFBE8F4C0, 16 bytes long.
Data: < W< > D8 57 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000021CFBE8F510, 16 bytes long.
Data: <P < > 50 04 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000021CFBE8EFC0, 16 bytes long.
Data: <0 < > 30 04 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000021CFBE8EF20, 16 bytes long.
Data: < < > E0 02 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000021CFBE8F470, 16 bytes long.
Data: < < > 10 04 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000021CFBE8F290, 16 bytes long.
Data: <p < > 70 04 3C 1B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000021CFBE8EDE0, 16 bytes long.
Data: < : > 18 C0 3A 1B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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