Task 38645416
| Name | test_43-GPUGRID_TEST_ATM_500_20261023-0-1-RND7768_0 |
| Workunit | 31590380 |
| Created | 23 Oct 2026, 16:01:56 UTC |
| Sent | 23 Oct 2026, 16:19:35 UTC |
| Report deadline | 28 Oct 2026, 16:19:35 UTC |
| Received | 23 Oct 2026, 20:19:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 45 min 23 sec |
| CPU time | 45 min 23 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.31 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 2.84 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:32:18 (7744): wrapper (7.9.26016): starting
13:32:18 (7744): 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
13:33:03 (7744): Library/usr/bin/tar.exe exited; CPU time 0.125000
13:33:03 (7744): 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\8\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\8\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) : {3835103} normal block at 0x000001C621A18470, 8 bytes long.
Data: < ! > 00 00 99 21 C6 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001C621AFE400, 1080 bytes long.
Data: < ~ d > 8C 7E 00 00 CD CD CD CD 64 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C621A23CB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:09:39 (27612): wrapper (7.9.26016): starting
15:09:39 (27612): 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\8\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
15:18:45 (27612): C:/Windows/system32/cmd.exe exited; CPU time 358.562500
15:18:45 (27612): 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: 10401040 bytes.
Dumping objects ->
{1541} normal block at 0x000001EB944CF340, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x000001EB944CEE70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x000001EB944CEE00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x000001EB944CF490, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x000001EB944CF420, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x000001EB944BD340, 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) : {1453} normal block at 0x000001EB944D3E30, 8 bytes long.
Data: < E > 00 00 45 94 EB 01 00 00
{301} normal block at 0x000001EB944D36B0, 8 bytes long.
Data: <pXM > 70 58 4D 94 EB 01 00 00
{292} normal block at 0x000001EB944B6410, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001EB944D4150, 16 bytes long.
Data: <xWM > 78 57 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EB944D4100, 16 bytes long.
Data: <PWM > 50 57 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EB944CCA90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001EB944D3ED0, 16 bytes long.
Data: <(WM > 28 57 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EB944D3C50, 16 bytes long.
Data: < WM > 00 57 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EB944D34D0, 16 bytes long.
Data: < VM > D8 56 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EB944D3E80, 16 bytes long.
Data: < VM > B0 56 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EB944CF3B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001EB944D3BB0, 16 bytes long.
Data: < cK > A8 63 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EB944CCF10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001EB944D3890, 16 bytes long.
Data: < cK > 80 63 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EB944D3700, 16 bytes long.
Data: <XcK > 58 63 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EB944D3A20, 16 bytes long.
Data: <0cK > 30 63 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EB944D4240, 16 bytes long.
Data: < cK > 08 63 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EB944D4010, 16 bytes long.
Data: < bK > E0 62 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EB944D3B10, 16 bytes long.
Data: < bK > B8 62 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EB944CD6F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001EB944D4060, 16 bytes long.
Data: < bK > 90 62 4B 94 EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EB944B6290, 320 bytes long.
Data: <`@M L > 60 40 4D 94 EB 01 00 00 F0 D6 4C 94 EB 01 00 00
{271} normal block at 0x000001EB944D43D0, 16 bytes long.
Data: < VM > 90 56 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EB944D41F0, 16 bytes long.
Data: <hVM > 68 56 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EB944CD270, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001EB944D3DE0, 16 bytes long.
Data: <@VM > 40 56 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EB944CD750, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001EB944D3FC0, 16 bytes long.
Data: < UM > 88 55 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EB944D3F20, 16 bytes long.
Data: <`UM > 60 55 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EB944D3D90, 16 bytes long.
Data: <8UM > 38 55 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EB944D41A0, 16 bytes long.
Data: < UM > 10 55 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EB944D3840, 16 bytes long.
Data: < TM > E8 54 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EB944D39D0, 16 bytes long.
Data: < TM > C0 54 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EB944D4380, 16 bytes long.
Data: < L > 10 F1 4C 94 EB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EB944CF110, 40 bytes long.
Data: < CM @ K > 80 43 4D 94 EB 01 00 00 40 D3 4B 94 EB 01 00 00
{257} normal block at 0x000001EB944D40B0, 16 bytes long.
Data: < TM > A0 54 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EB944D35C0, 16 bytes long.
Data: <xTM > 78 54 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001EB944CCE50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001EB944D3D40, 16 bytes long.
Data: <PTM > 50 54 4D 94 EB 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001EB944D5450, 992 bytes long.
Data: <@=M P L > 40 3D 4D 94 EB 01 00 00 50 CE 4C 94 EB 01 00 00
{89} normal block at 0x000001EB944CD570, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001EB944C7C60, 16 bytes long.
Data: < L > 80 F1 4C 94 EB 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001EB944CF180, 40 bytes long.
Data: <`|L p L > 60 7C 4C 94 EB 01 00 00 70 D5 4C 94 EB 01 00 00
{66} normal block at 0x000001EB944C7C10, 16 bytes long.
Data: < q > 80 EA A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EB944C8840, 16 bytes long.
Data: <@ q > 40 E9 A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EB944C7D00, 16 bytes long.
Data: < W q > F8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EB944C87F0, 16 bytes long.
Data: < W q > D8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EB944C7B20, 16 bytes long.
Data: <P q > 50 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EB944C8930, 16 bytes long.
Data: <0 q > 30 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EB944C7BC0, 16 bytes long.
Data: < q > E0 02 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001EB944C8250, 16 bytes long.
Data: < q > 10 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001EB944C8750, 16 bytes long.
Data: <p q > 70 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001EB944C8700, 16 bytes long.
Data: < q > 18 C0 9E 71 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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