Task 38657267
| Name | test_533-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1897_0 |
| Workunit | 31600930 |
| Created | 24 Oct 2026, 11:29:12 UTC |
| Sent | 24 Oct 2026, 11:42:05 UTC |
| Report deadline | 29 Oct 2026, 11:42:05 UTC |
| Received | 24 Oct 2026, 13:48:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 37 min 50 sec |
| CPU time | 33 min 46 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 | 664.34 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 4.14 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:46:05 (20292): wrapper (7.9.26016): starting
04:46:05 (20292): 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
04:46:07 (20292): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:46:07 (20292): 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.
05:41:06 (19232): wrapper (7.9.26016): starting
05:41:06 (19232): 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.
06:41:06 (14376): Can't acquire lockfile (32) - waiting 35s
06:41:41 (14376): wrapper (7.9.26016): starting
06:41:41 (14376): 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
06:48:33 (14376): C:/Windows/system32/cmd.exe exited; CPU time 360.453125
06:48:33 (14376): 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: 6695254 bytes.
Dumping objects ->
{1595} normal block at 0x000001F847AF6240, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1584} normal block at 0x000001F847AF60F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1573} normal block at 0x000001F847AF6010, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1562} normal block at 0x000001F847AF5FA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1551} normal block at 0x000001F847AF6160, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1520} normal block at 0x000001F847AF4660, 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) : {1507} normal block at 0x000001F847AF4A00, 8 bytes long.
Data: < G > 00 00 AC 47 F8 01 00 00
{303} normal block at 0x000001F847AF47D0, 8 bytes long.
Data: < @ G > 80 40 AF 47 F8 01 00 00
{294} normal block at 0x000001F847AE5C90, 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 0x000001F847AF4F50, 16 bytes long.
Data: <(f G > 28 66 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F847AF4C30, 16 bytes long.
Data: < f G > 00 66 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F847AEFE40, 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 0x000001F847AF4B40, 16 bytes long.
Data: < e G > D8 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F847AF49B0, 16 bytes long.
Data: < e G > B0 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F847AF4FF0, 16 bytes long.
Data: < e G > 88 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F847AF4960, 16 bytes long.
Data: <`e G > 60 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F847AF5BB0, 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 0x000001F847AF4910, 16 bytes long.
Data: <H G > 48 83 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F847AEF720, 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 0x000001F847AF4AF0, 16 bytes long.
Data: < G > 20 83 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F847AF4BE0, 16 bytes long.
Data: < G > F8 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F847AF5630, 16 bytes long.
Data: < G > D0 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F847AF54F0, 16 bytes long.
Data: < G > A8 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F847AF51D0, 16 bytes long.
Data: < G > 80 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F847AF55E0, 16 bytes long.
Data: <X G > 58 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F847AF0200, 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 0x000001F847AF48C0, 16 bytes long.
Data: <0 G > 30 82 AE 47 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F847AE8230, 320 bytes long.
Data: < H G G > C0 48 AF 47 F8 01 00 00 00 02 AF 47 F8 01 00 00
{273} normal block at 0x000001F847AF5590, 16 bytes long.
Data: <@e G > 40 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F847AF5090, 16 bytes long.
Data: < e G > 18 65 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F847AF0020, 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 0x000001F847AF4870, 16 bytes long.
Data: < d G > F0 64 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F847AEFDE0, 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 0x000001F847AF4820, 16 bytes long.
Data: <8d G > 38 64 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F847AF4780, 16 bytes long.
Data: < d G > 10 64 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F847AF5180, 16 bytes long.
Data: < c G > E8 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F847AF5130, 16 bytes long.
Data: < c G > C0 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F847AF4F00, 16 bytes long.
Data: < c G > 98 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F847AF4EB0, 16 bytes long.
Data: <pc G > 70 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F847AF4730, 16 bytes long.
Data: <0_ G > 30 5F AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F847AF5F30, 40 bytes long.
Data: <0G G `F G > 30 47 AF 47 F8 01 00 00 60 46 AF 47 F8 01 00 00
{259} normal block at 0x000001F847AF5680, 16 bytes long.
Data: <Pc G > 50 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F847AF4AA0, 16 bytes long.
Data: <(c G > 28 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F847AF00E0, 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 0x000001F847AF54A0, 16 bytes long.
Data: < c G > 00 63 AF 47 F8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001F847AF6300, 992 bytes long.
Data: < T G G > A0 54 AF 47 F8 01 00 00 E0 00 AF 47 F8 01 00 00
{91} normal block at 0x000001F847AEF840, 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 0x000001F847AEEA50, 16 bytes long.
Data: < G > F0 8B AD 47 F8 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001F847AD8BF0, 40 bytes long.
Data: <P G @ G > 50 EA AE 47 F8 01 00 00 40 F8 AE 47 F8 01 00 00
{68} normal block at 0x000001F847AEE4B0, 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 0x000001F847AEEAA0, 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 0x000001F847AEE500, 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 0x000001F847AEEF00, 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 0x000001F847AEEF50, 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 0x000001F847AEF180, 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 0x000001F847AEEA00, 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 0x000001F847AEE8C0, 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 0x000001F847AEF040, 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 0x000001F847AEE460, 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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