Task 38663061
| Name | test_895-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND3067_0 |
| Workunit | 31606293 |
| Created | 24 Oct 2026, 21:14:18 UTC |
| Sent | 24 Oct 2026, 21:14:20 UTC |
| Report deadline | 29 Oct 2026, 21:14:20 UTC |
| Received | 24 Oct 2026, 23:48:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 40 min 26 sec |
| CPU time | 36 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.37 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.24 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:24:52 (15020): wrapper (7.9.26016): starting
14:24:52 (15020): 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
14:24:54 (15020): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:24:54 (15020): 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) : {3835157} normal block at 0x0000024BC3FBEFA0, 8 bytes long.
Data: < ? K > 00 00 3F C4 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833954} normal block at 0x0000024BC5D038C0, 1080 bytes long.
Data: < > 20 18 00 00 CD CD CD CD AC 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024BC3FC0840, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
14:40:44 (7884): wrapper (7.9.26016): starting
14:40:44 (7884): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1505} normal block at 0x0000010AFEC45320, 8 bytes long.
Data: < > 00 00 BF FE 0A 01 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000010AFEC440C0, 1080 bytes long.
Data: <( L > 28 05 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
15:41:14 (3224): wrapper (7.9.26016): starting
15:41:14 (3224): 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.
16:41:07 (19152): wrapper (7.9.26016): starting
16:41:07 (19152): 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
16:48:32 (19152): C:/Windows/system32/cmd.exe exited; CPU time 399.093750
16:48:32 (19152): 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: 6760944 bytes.
Dumping objects ->
{1594} normal block at 0x000001972ADB6010, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x000001972ADB6320, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x000001972ADB5C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1561} normal block at 0x000001972ADB62B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x000001972ADB5DE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1519} normal block at 0x000001972AD9D340, 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) : {1505} normal block at 0x000001972ADB4FF0, 8 bytes long.
Data: < * > 00 00 D7 2A 97 01 00 00
{303} normal block at 0x000001972ADB4500, 8 bytes long.
Data: <Pd * > 50 64 DB 2A 97 01 00 00
{294} normal block at 0x000001972ADA5E30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001972ADB5270, 16 bytes long.
Data: <H[ * > 48 5B DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001972ADB4550, 16 bytes long.
Data: < [ * > 20 5B DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001972ADAFB60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001972ADB51D0, 16 bytes long.
Data: < Z * > F8 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001972ADB5180, 16 bytes long.
Data: < Z * > D0 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001972ADB5220, 16 bytes long.
Data: < Z * > A8 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001972ADB50E0, 16 bytes long.
Data: < Z * > 80 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001972ADB6390, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001972ADB4F50, 16 bytes long.
Data: < @ * > 18 40 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001972ADAF6E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001972ADB44B0, 16 bytes long.
Data: < ? * > F0 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001972ADB4820, 16 bytes long.
Data: < ? * > C8 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001972ADB4F00, 16 bytes long.
Data: < ? * > A0 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001972ADB52C0, 16 bytes long.
Data: <x? * > 78 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001972ADB5040, 16 bytes long.
Data: <P? * > 50 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001972ADB4E60, 16 bytes long.
Data: <(? * > 28 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001972ADAF9E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001972ADB4460, 16 bytes long.
Data: < ? * > 00 3F DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001972ADB3F00, 320 bytes long.
Data: <`D * * > 60 44 DB 2A 97 01 00 00 E0 F9 DA 2A 97 01 00 00
{273} normal block at 0x000001972ADB4EB0, 16 bytes long.
Data: <`Z * > 60 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001972ADB5090, 16 bytes long.
Data: <8Z * > 38 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001972ADAFDA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001972ADB53B0, 16 bytes long.
Data: < Z * > 10 5A DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001972ADAF740, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001972ADB4C30, 16 bytes long.
Data: <XY * > 58 59 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001972ADB4910, 16 bytes long.
Data: <0Y * > 30 59 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001972ADB4E10, 16 bytes long.
Data: < Y * > 08 59 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001972ADB4FA0, 16 bytes long.
Data: < X * > E0 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001972ADB5360, 16 bytes long.
Data: < X * > B8 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001972ADB47D0, 16 bytes long.
Data: < X * > 90 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001972ADB5310, 16 bytes long.
Data: < * > A0 C1 D9 2A 97 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001972AD9C1A0, 40 bytes long.
Data: < S * @ * > 10 53 DB 2A 97 01 00 00 40 D3 D9 2A 97 01 00 00
{259} normal block at 0x000001972ADB5130, 16 bytes long.
Data: <pX * > 70 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001972ADB4B40, 16 bytes long.
Data: <HX * > 48 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001972ADAFEC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001972ADB4AA0, 16 bytes long.
Data: < X * > 20 58 DB 2A 97 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001972ADB5820, 992 bytes long.
Data: < J * * > A0 4A DB 2A 97 01 00 00 C0 FE DA 2A 97 01 00 00
{91} normal block at 0x000001972ADAFD40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001972ADAE880, 16 bytes long.
Data: < * > D0 D2 D9 2A 97 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001972AD9D2D0, 40 bytes long.
Data: < * @ * > 80 E8 DA 2A 97 01 00 00 40 FD DA 2A 97 01 00 00
{68} normal block at 0x000001972ADAEF10, 16 bytes long.
Data: < r > 80 EA 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001972ADAE790, 16 bytes long.
Data: <@ r > 40 E9 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001972ADAE1A0, 16 bytes long.
Data: < W r > F8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001972ADAE970, 16 bytes long.
Data: < W r > D8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001972ADAE2E0, 16 bytes long.
Data: <P r > 50 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001972ADAE7E0, 16 bytes long.
Data: <0 r > 30 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001972ADAEDD0, 16 bytes long.
Data: < r > E0 02 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001972ADAEB00, 16 bytes long.
Data: < r > 10 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001972ADAE100, 16 bytes long.
Data: <p r > 70 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001972ADAE560, 16 bytes long.
Data: < r > 18 C0 8E 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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