Task 38654682
| Name | test_417-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND8144_0 |
| Workunit | 31598491 |
| Created | 24 Oct 2026, 7:43:51 UTC |
| Sent | 24 Oct 2026, 7:44:00 UTC |
| Report deadline | 29 Oct 2026, 7:44:00 UTC |
| Received | 24 Oct 2026, 9:49:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646090 |
| Run time | 2 hours 5 min 24 sec |
| CPU time | 13 hours 51 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,847.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.19 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:29:41 (20136): wrapper (7.9.26016): starting
01:29:41 (20136): 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
01:29:42 (20136): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:29:42 (20136): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835123} normal block at 0x000001D97E7BE6E0, 8 bytes long.
Data: < y~ > 00 00 79 7E D9 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x000001D97F045940, 1080 bytes long.
Data: <4 > 34 99 00 00 CD CD CD CD C0 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001D97E7C18B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:57:34 (21580): wrapper (7.9.26016): starting
01:57:34 (21580): 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\0\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
02:11:21 (21580): C:/Windows/system32/cmd.exe exited; CPU time 48683.296875
02:11:21 (21580): 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: 16997446 bytes.
Dumping objects ->
{1550} normal block at 0x00000220162E5000, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1539} normal block at 0x00000220162E4F90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x00000220162E4C10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1517} normal block at 0x00000220162E52A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1506} normal block at 0x00000220162E4D60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1475} normal block at 0x00000220162D0AE0, 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) : {1462} normal block at 0x00000220162E6DB0, 8 bytes long.
Data: < * > 00 00 2A 16 20 02 00 00
{312} normal block at 0x00000220162E7120, 8 bytes long.
Data: <@|. > 40 7C 2E 16 20 02 00 00
{303} normal block at 0x00000220162D77A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000220162E6FE0, 16 bytes long.
Data: <H{. > 48 7B 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000220162E7670, 16 bytes long.
Data: < {. > 20 7B 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000220162E1080, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000220162E6900, 16 bytes long.
Data: < z. > F8 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000220162E7760, 16 bytes long.
Data: < z. > D0 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000220162E7620, 16 bytes long.
Data: < z. > A8 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000220162E7440, 16 bytes long.
Data: < z. > 80 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000220162E50E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000220162E6E50, 16 bytes long.
Data: < , > D8 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000220162E1560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000220162E7490, 16 bytes long.
Data: < , > B0 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000220162E6BD0, 16 bytes long.
Data: < , > 88 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000220162E73A0, 16 bytes long.
Data: <` , > 60 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000220162E69F0, 16 bytes long.
Data: <8 , > 38 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000220162E6B80, 16 bytes long.
Data: < , > 10 FE 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000220162E74E0, 16 bytes long.
Data: < , > E8 FD 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000220162E16E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000220162E73F0, 16 bytes long.
Data: < , > C0 FD 2C 16 20 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000220162CFDC0, 320 bytes long.
Data: < s. . > F0 73 2E 16 20 02 00 00 E0 16 2E 16 20 02 00 00
{282} normal block at 0x00000220162E7300, 16 bytes long.
Data: <`z. > 60 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000220162E6D60, 16 bytes long.
Data: <8z. > 38 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000220162E0E40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000220162E69A0, 16 bytes long.
Data: < z. > 10 7A 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000220162E0AE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000220162E7260, 16 bytes long.
Data: <Xy. > 58 79 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000220162E6AE0, 16 bytes long.
Data: <0y. > 30 79 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000220162E6B30, 16 bytes long.
Data: < y. > 08 79 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000220162E6EF0, 16 bytes long.
Data: < x. > E0 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000220162E6D10, 16 bytes long.
Data: < x. > B8 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000220162E6C70, 16 bytes long.
Data: < x. > 90 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000220162E75D0, 16 bytes long.
Data: <pP. > 70 50 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000220162E5070, 40 bytes long.
Data: < u. - > D0 75 2E 16 20 02 00 00 E0 0A 2D 16 20 02 00 00
{268} normal block at 0x00000220162E68B0, 16 bytes long.
Data: <px. > 70 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000220162E7580, 16 bytes long.
Data: <Hx. > 48 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000220162E1680, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000220162E70D0, 16 bytes long.
Data: < x. > 20 78 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000220162E7820, 992 bytes long.
Data: < p. . > D0 70 2E 16 20 02 00 00 80 16 2E 16 20 02 00 00
{100} normal block at 0x00000220162E0900, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000220162DEB40, 16 bytes long.
Data: < O. > 20 4F 2E 16 20 02 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000220162E4F20, 40 bytes long.
Data: <@ - . > 40 EB 2D 16 20 02 00 00 00 09 2E 16 20 02 00 00
{77} normal block at 0x00000220162DEC80, 16 bytes long.
Data: < > 80 EA BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000220162DEA50, 16 bytes long.
Data: <@ > 40 E9 BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000220162DED70, 16 bytes long.
Data: < W > F8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000220162DE960, 16 bytes long.
Data: < W > D8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000220162DE370, 16 bytes long.
Data: <P > 50 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000220162DE280, 16 bytes long.
Data: <0 > 30 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000220162DEC30, 16 bytes long.
Data: < > E0 02 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000220162DEDC0, 16 bytes long.
Data: < > 10 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000220162DECD0, 16 bytes long.
Data: <p > 70 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000220162DE8C0, 16 bytes long.
Data: < > 18 C0 B5 A5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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