Task 38659521
| Name | test_1513-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND2615_0 |
| Workunit | 31603066 |
| Created | 24 Oct 2026, 13:28:43 UTC |
| Sent | 24 Oct 2026, 15:41:12 UTC |
| Report deadline | 29 Oct 2026, 15:41:12 UTC |
| Received | 24 Oct 2026, 22:56:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654681 |
| Run time | 23 min 11 sec |
| CPU time | 21 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.53 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:00:47 (37792): wrapper (7.9.26016): starting
14:00:47 (37792): 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
14:00:48 (37792): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:48 (37792): 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 'D:\APPs\BOINC\Data\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 'D:\APPs\BOINC\Data\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:23:15 (37792): C:/Windows/system32/cmd.exe exited; CPU time 1317.218750
14:23:15 (37792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 26433425 bytes.
Dumping objects ->
{3835626} normal block at 0x000002260EF76310, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835615} normal block at 0x000002260EF33410, 32 bytes long.
Data: <HOME=D:\APPs\BOI> 48 4F 4D 45 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835604} normal block at 0x000002260EF33110, 32 bytes long.
Data: <TMP=D:\APPs\BOIN> 54 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49 4E
{3835593} normal block at 0x000002260EF33D70, 32 bytes long.
Data: <TEMP=D:\APPs\BOI> 54 45 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835582} normal block at 0x000002260CED7640, 48 bytes long.
Data: <TMPDIR=D:\APPs\B> 54 4D 50 44 49 52 3D 44 3A 5C 41 50 50 73 5C 42
{3835551} normal block at 0x000002260CED75D0, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
..\api\boinc_api.cpp(309) : {3835538} normal block at 0x000002260CECF7B0, 8 bytes long.
Data: < & > 00 00 EA 0C 26 02 00 00
{3834065} normal block at 0x000002260CECFFD0, 8 bytes long.
Data: < ^ & > C0 5E F4 0E 26 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002260CED4070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002260CEC89C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002260CED7C30, 16 bytes long.
Data: <( & > 28 8E ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002260CED88B0, 16 bytes long.
Data: < & > 00 8E ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002260CED2060, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002260CED8270, 16 bytes long.
Data: < & > D8 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002260CED7E60, 16 bytes long.
Data: < & > B0 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002260CED8810, 16 bytes long.
Data: < & > 88 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002260CED89F0, 16 bytes long.
Data: <` & > 60 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002260CED76B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002260CED7D70, 16 bytes long.
Data: < & > F8 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002260CED1B80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002260CED84F0, 16 bytes long.
Data: < & > D0 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002260CED87C0, 16 bytes long.
Data: < & > A8 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002260CED8130, 16 bytes long.
Data: < & > 80 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002260CED8770, 16 bytes long.
Data: <X & > 58 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002260CED8720, 16 bytes long.
Data: <0 & > 30 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002260CED8540, 16 bytes long.
Data: < & > 08 0D EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002260CED2360, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002260CED7E10, 16 bytes long.
Data: < & > E0 0C EC 0C 26 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002260CEC0CE0, 320 bytes long.
Data: < ~ & `# & > 10 7E ED 0C 26 02 00 00 60 23 ED 0C 26 02 00 00
{278} normal block at 0x000002260CED8900, 16 bytes long.
Data: <@ & > 40 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002260CED8590, 16 bytes long.
Data: < & > 18 8D ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002260CED1AC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002260CED8220, 16 bytes long.
Data: < & > F0 8C ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002260CED1F40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002260CED86D0, 16 bytes long.
Data: <8 & > 38 8C ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002260CED81D0, 16 bytes long.
Data: < & > 10 8C ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002260CED84A0, 16 bytes long.
Data: < & > E8 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002260CED8680, 16 bytes long.
Data: < & > C0 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002260CED8180, 16 bytes long.
Data: < & > 98 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002260CED89A0, 16 bytes long.
Data: <p & > 70 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002260CED82C0, 16 bytes long.
Data: < w & > 90 77 ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002260CED7790, 40 bytes long.
Data: < & u & > C0 82 ED 0C 26 02 00 00 D0 75 ED 0C 26 02 00 00
{264} normal block at 0x000002260CED8630, 16 bytes long.
Data: <P & > 50 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002260CED85E0, 16 bytes long.
Data: <( & > 28 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002260CED1C40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002260CED8950, 16 bytes long.
Data: < & > 00 8B ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002260CED8B00, 992 bytes long.
Data: <P & @ & > 50 89 ED 0C 26 02 00 00 40 1C ED 0C 26 02 00 00
{96} normal block at 0x000002260CED1D60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002260CED0570, 16 bytes long.
Data: < s & > A0 73 ED 0C 26 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002260CED73A0, 40 bytes long.
Data: <p & ` & > 70 05 ED 0C 26 02 00 00 60 1D ED 0C 26 02 00 00
{71} normal block at 0x000002260CED0160, 16 bytes long.
Data: < 0 > 80 EA 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002260CECF9E0, 16 bytes long.
Data: <@ 0 > 40 E9 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002260CED0110, 16 bytes long.
Data: < W- > F8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002260CECFDF0, 16 bytes long.
Data: < W- > D8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002260CED00C0, 16 bytes long.
Data: <P - > 50 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002260CECFF30, 16 bytes long.
Data: <0 - > 30 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002260CED0070, 16 bytes long.
Data: < - > E0 02 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002260CECFA80, 16 bytes long.
Data: < - > 10 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002260CECFDA0, 16 bytes long.
Data: <p - > 70 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002260CED06B0, 16 bytes long.
Data: < + > 18 C0 2B 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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