Task 38697706
| Name | test_380-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5402_0 |
| Workunit | 31638263 |
| Created | 1 Nov 2026, 19:56:57 UTC |
| Sent | 1 Nov 2026, 19:56:58 UTC |
| Report deadline | 6 Nov 2026, 19:56:58 UTC |
| Received | 1 Nov 2026, 23:42:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648597 |
| Run time | 1 hours 12 min 3 sec |
| CPU time | 1 hours 6 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 18,251.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.36 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:05:03 (24272): wrapper (7.9.26016): starting
15:05:03 (24272): 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
15:05:04 (24272): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:05:04 (24272): 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\16\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\16\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) : {3835383} normal block at 0x000001736733CF80, 8 bytes long.
Data: < gs > 00 00 90 67 73 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000017368FFB250, 1080 bytes long.
Data: < ? l > D0 3F 00 00 CD CD CD CD 6C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000017367336B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:57:04 (4692): wrapper (7.9.26016): starting
15:57:04 (4692): 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\16\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
16:41:40 (4692): C:/Windows/system32/cmd.exe exited; CPU time 2598.500000
16:41:40 (4692): 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: 44145335 bytes.
Dumping objects ->
{1813} normal block at 0x0000015273A71D60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x0000015273A71C80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x0000015273A71BA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x0000015273A71E40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x0000015273A71B30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x0000015273A60070, 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) : {1725} normal block at 0x0000015273A73A60, 8 bytes long.
Data: < sR > 00 00 FA 73 52 01 00 00
{309} normal block at 0x0000015273A742D0, 8 bytes long.
Data: <P/ sR > 50 2F A7 73 52 01 00 00
{300} normal block at 0x0000015273A67E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000015273A73740, 16 bytes long.
Data: < L sR > 98 4C A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015273A73600, 16 bytes long.
Data: <pL sR > 70 4C A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015273A6E990, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000015273A73A10, 16 bytes long.
Data: <HL sR > 48 4C A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015273A743C0, 16 bytes long.
Data: < L sR > 20 4C A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015273A736F0, 16 bytes long.
Data: < K sR > F8 4B A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015273A73830, 16 bytes long.
Data: < K sR > D0 4B A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015273A72230, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000015273A735B0, 16 bytes long.
Data: < sR > A8 CB A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015273A6EB10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000015273A73E20, 16 bytes long.
Data: < sR > 80 CB A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015273A741E0, 16 bytes long.
Data: <X sR > 58 CB A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015273A736A0, 16 bytes long.
Data: <0 sR > 30 CB A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015273A74230, 16 bytes long.
Data: < sR > 08 CB A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015273A73F10, 16 bytes long.
Data: < sR > E0 CA A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015273A74280, 16 bytes long.
Data: < sR > B8 CA A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015273A6E1B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000015273A73B50, 16 bytes long.
Data: < sR > 90 CA A5 73 52 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015273A5CA90, 320 bytes long.
Data: <P; sR sR > 50 3B A7 73 52 01 00 00 B0 E1 A6 73 52 01 00 00
{279} normal block at 0x0000015273A74460, 16 bytes long.
Data: < K sR > B0 4B A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015273A74000, 16 bytes long.
Data: < K sR > 88 4B A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015273A6E810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000015273A74500, 16 bytes long.
Data: <`K sR > 60 4B A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015273A6EFF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000015273A73650, 16 bytes long.
Data: < J sR > A8 4A A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015273A73CE0, 16 bytes long.
Data: < J sR > 80 4A A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015273A74370, 16 bytes long.
Data: <XJ sR > 58 4A A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015273A73880, 16 bytes long.
Data: <0J sR > 30 4A A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015273A744B0, 16 bytes long.
Data: < J sR > 08 4A A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015273A73920, 16 bytes long.
Data: < I sR > E0 49 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015273A73E70, 16 bytes long.
Data: < sR > 00 20 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015273A72000, 40 bytes long.
Data: <p> sR p sR > 70 3E A7 73 52 01 00 00 70 00 A6 73 52 01 00 00
{265} normal block at 0x0000015273A73C40, 16 bytes long.
Data: < I sR > C0 49 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015273A73EC0, 16 bytes long.
Data: < I sR > 98 49 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015273A6E390, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000015273A73DD0, 16 bytes long.
Data: <pI sR > 70 49 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015273A74970, 992 bytes long.
Data: < = sR sR > D0 3D A7 73 52 01 00 00 90 E3 A6 73 52 01 00 00
{97} normal block at 0x0000015273A6E4B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000015273A6C940, 16 bytes long.
Data: < ! sR > C0 21 A7 73 52 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000015273A721C0, 40 bytes long.
Data: <@ sR sR > 40 C9 A6 73 52 01 00 00 B0 E4 A6 73 52 01 00 00
{74} normal block at 0x0000015273A6D3E0, 16 bytes long.
Data: < b > 80 EA 62 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000015273A6D070, 16 bytes long.
Data: <@ b > 40 E9 62 D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000015273A6D020, 16 bytes long.
Data: < W_ > F8 57 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015273A6CFD0, 16 bytes long.
Data: < W_ > D8 57 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015273A6C670, 16 bytes long.
Data: <P _ > 50 04 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015273A6CF80, 16 bytes long.
Data: <0 _ > 30 04 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015273A6CE40, 16 bytes long.
Data: < _ > E0 02 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015273A6CC10, 16 bytes long.
Data: < _ > 10 04 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015273A6CDF0, 16 bytes long.
Data: <p _ > 70 04 5F D3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015273A6C8F0, 16 bytes long.
Data: < ] > 18 C0 5D D3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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