Task 38686347
| Name | test_962-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3527_0 |
| Workunit | 31627781 |
| Created | 28 Oct 2026, 2:03:22 UTC |
| Sent | 28 Oct 2026, 2:03:28 UTC |
| Report deadline | 2 Nov 2026, 2:03:28 UTC |
| Received | 28 Oct 2026, 2:46:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654060 |
| Run time | 25 min 41 sec |
| CPU time | 25 min 2 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.83 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:09:36 (5656): wrapper (7.9.26016): starting
21:09:36 (5656): 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
21:09:37 (5656): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:09:37 (5656): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835170} normal block at 0x00000242DBA8F0D0, 8 bytes long.
Data: < B > 00 00 0B DC 42 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x00000242DD883540, 1080 bytes long.
Data: <\k > 5C 6B 00 00 CD CD CD CD 80 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000242DBA91320, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:20:55 (50332): wrapper (7.9.26016): starting
21:20:55 (50332): 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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
21:46:35 (50332): C:/Windows/system32/cmd.exe exited; CPU time 1502.046875
21:46:35 (50332): 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: 41504562 bytes.
Dumping objects ->
{1604} normal block at 0x000001B47BDB4D50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1593} normal block at 0x000001B47BDB4C00, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x000001B47BDB4880, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1571} normal block at 0x000001B47BDB4AB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1560} normal block at 0x000001B47BDB4E30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1529} normal block at 0x000001B47BD9B630, 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) : {1516} normal block at 0x000001B47BDB66A0, 8 bytes long.
Data: < { > 00 00 D5 7B B4 01 00 00
{305} normal block at 0x000001B47BDB6740, 8 bytes long.
Data: <@i { > 40 69 DB 7B B4 01 00 00
{296} normal block at 0x000001B47BDA6860, 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 0x000001B47BDB6650, 16 bytes long.
Data: <8X { > 38 58 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B47BDB6600, 16 bytes long.
Data: < X { > 10 58 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B47BDB04D0, 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 0x000001B47BDB68D0, 16 bytes long.
Data: < W { > E8 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B47BDB6470, 16 bytes long.
Data: < W { > C0 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B47BDB5F70, 16 bytes long.
Data: < W { > 98 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B47BDB5A20, 16 bytes long.
Data: <pW { > 70 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B47BDB4B90, 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 0x000001B47BDB5A70, 16 bytes long.
Data: < { > C8 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B47BDAFCF0, 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 0x000001B47BDB65B0, 16 bytes long.
Data: < { > A0 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B47BDB5FC0, 16 bytes long.
Data: <x { > 78 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B47BDB67E0, 16 bytes long.
Data: <P { > 50 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B47BDB5E80, 16 bytes long.
Data: <( { > 28 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B47BDB6420, 16 bytes long.
Data: < { > 00 B5 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B47BDB63D0, 16 bytes long.
Data: < { > D8 B4 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B47BDAFC30, 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 0x000001B47BDB6240, 16 bytes long.
Data: < { > B0 B4 D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B47BD9B4B0, 320 bytes long.
Data: <@b { 0 { > 40 62 DB 7B B4 01 00 00 30 FC DA 7B B4 01 00 00
{275} normal block at 0x000001B47BDB5B60, 16 bytes long.
Data: <PW { > 50 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B47BDB6560, 16 bytes long.
Data: <(W { > 28 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B47BDAFED0, 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 0x000001B47BDB6510, 16 bytes long.
Data: < W { > 00 57 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B47BDAFBD0, 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 0x000001B47BDB5D90, 16 bytes long.
Data: <HV { > 48 56 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B47BDB59D0, 16 bytes long.
Data: < V { > 20 56 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B47BDB64C0, 16 bytes long.
Data: < U { > F8 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B47BDB6380, 16 bytes long.
Data: < U { > D0 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B47BDB5C50, 16 bytes long.
Data: < U { > A8 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B47BDAEAE0, 16 bytes long.
Data: < U { > 80 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B47BDAEA90, 16 bytes long.
Data: <@J { > 40 4A DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B47BDB4A40, 40 bytes long.
Data: < { 0 { > 90 EA DA 7B B4 01 00 00 30 B6 D9 7B B4 01 00 00
{261} normal block at 0x000001B47BDAE9F0, 16 bytes long.
Data: <`U { > 60 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B47BDAE9A0, 16 bytes long.
Data: <8U { > 38 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B47BDAF990, 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 0x000001B47BDAF3F0, 16 bytes long.
Data: < U { > 10 55 DB 7B B4 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001B47BDB5510, 992 bytes long.
Data: < { { > F0 F3 DA 7B B4 01 00 00 90 F9 DA 7B B4 01 00 00
{93} normal block at 0x000001B47BDB0350, 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 0x000001B47BDAECC0, 16 bytes long.
Data: <p { > 70 EF D9 7B B4 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001B47BD9EF70, 40 bytes long.
Data: < { P { > C0 EC DA 7B B4 01 00 00 50 03 DB 7B B4 01 00 00
{70} normal block at 0x000001B47BDAF7B0, 16 bytes long.
Data: < 3 > 80 EA 33 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B47BDAF760, 16 bytes long.
Data: <@ 3 > 40 E9 33 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B47BDAF170, 16 bytes long.
Data: < W0 > F8 57 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B47BDAEC70, 16 bytes long.
Data: < W0 > D8 57 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B47BDAEBD0, 16 bytes long.
Data: <P 0 > 50 04 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B47BDAF0D0, 16 bytes long.
Data: <0 0 > 30 04 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B47BDAEB30, 16 bytes long.
Data: < 0 > E0 02 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B47BDAF080, 16 bytes long.
Data: < 0 > 10 04 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B47BDAF2B0, 16 bytes long.
Data: <p 0 > 70 04 30 C0 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B47BDAF030, 16 bytes long.
Data: < . > 18 C0 2E C0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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