Task 38664966
| Name | test_389-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1826_0 |
| Workunit | 31608089 |
| Created | 25 Oct 2026, 0:26:51 UTC |
| Sent | 25 Oct 2026, 0:26:52 UTC |
| Report deadline | 30 Oct 2026, 0:26:52 UTC |
| Received | 25 Oct 2026, 10:35:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609406 |
| Run time | 9 hours 55 min 9 sec |
| CPU time | 9 hours 40 min 11 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 5,072.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.17 MB |
| Peak swap size | 9.74 GB |
| Peak disk usage | 3.85 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:30:27 (47864): wrapper (7.9.26016): starting
17:30:27 (47864): 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
17:30:29 (47864): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:30:29 (47864): 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) : {3835107} normal block at 0x0000029E2EEFE830, 8 bytes long.
Data: < . > 00 00 EC 2E 9E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x0000029E30C537B0, 1080 bytes long.
Data: < > 9C C7 00 00 CD CD CD CD D8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000029E2EF00850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:04:37 (41168): wrapper (7.9.26016): starting
21:04:37 (41168): 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) : {1454} normal block at 0x000001C8273C5C50, 8 bytes long.
Data: < {' > 00 00 7B 27 C8 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C8273C63F0, 1080 bytes long.
Data: < D t > 9C 44 00 00 CD CD CD CD 74 00 00 00 00 00 00 00
Object dump complete.
21:09:50 (20604): wrapper (7.9.26016): starting
21:09:50 (20604): 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
03:34:44 (20604): C:/Windows/system32/cmd.exe exited; CPU time 22596.296875
03:34:44 (20604): 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: 463105478 bytes.
Dumping objects ->
{1542} normal block at 0x000002473C304B00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1531} normal block at 0x000002473C3046A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x000002473C304D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1509} normal block at 0x000002473C304A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1498} normal block at 0x000002473C304BE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1467} normal block at 0x000002473C2EEF50, 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) : {1454} normal block at 0x000002473C3062B0, 8 bytes long.
Data: < +<G > 00 00 2B 3C 47 02 00 00
{304} normal block at 0x000002473C305810, 8 bytes long.
Data: < g0<G > D0 67 30 3C 47 02 00 00
{295} normal block at 0x000002473C2F6160, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002473C3063A0, 16 bytes long.
Data: < V0<G > C8 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002473C306260, 16 bytes long.
Data: < V0<G > A0 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002473C300540, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002473C306490, 16 bytes long.
Data: <xV0<G > 78 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002473C306440, 16 bytes long.
Data: <PV0<G > 50 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002473C305DB0, 16 bytes long.
Data: <(V0<G > 28 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002473C305950, 16 bytes long.
Data: < V0<G > 00 56 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002473C3048D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002473C306350, 16 bytes long.
Data: < /<G > E8 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002473C2FFD60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002473C305C20, 16 bytes long.
Data: < /<G > C0 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002473C306530, 16 bytes long.
Data: < /<G > 98 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002473C3058B0, 16 bytes long.
Data: <p /<G > 70 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002473C305BD0, 16 bytes long.
Data: <H /<G > 48 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002473C305FE0, 16 bytes long.
Data: < /<G > 20 8F 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002473C305B80, 16 bytes long.
Data: < /<G > F8 8E 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002473C2FFCA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002473C306210, 16 bytes long.
Data: < /<G > D0 8E 2F 3C 47 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002473C2F8ED0, 320 bytes long.
Data: < b0<G /<G > 10 62 30 3C 47 02 00 00 A0 FC 2F 3C 47 02 00 00
{274} normal block at 0x000002473C305F40, 16 bytes long.
Data: < U0<G > E0 55 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002473C305EF0, 16 bytes long.
Data: < U0<G > B8 55 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002473C300300, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002473C305900, 16 bytes long.
Data: < U0<G > 90 55 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002473C2FFE80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002473C3061C0, 16 bytes long.
Data: < T0<G > D8 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002473C306170, 16 bytes long.
Data: < T0<G > B0 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002473C305EA0, 16 bytes long.
Data: < T0<G > 88 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002473C305F90, 16 bytes long.
Data: <`T0<G > 60 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002473C3066C0, 16 bytes long.
Data: <8T0<G > 38 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002473C2FEAB0, 16 bytes long.
Data: < T0<G > 10 54 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002473C2FEA60, 16 bytes long.
Data: <0F0<G > 30 46 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002473C304630, 40 bytes long.
Data: <` /<G P .<G > 60 EA 2F 3C 47 02 00 00 50 EF 2E 3C 47 02 00 00
{260} normal block at 0x000002473C2FEA10, 16 bytes long.
Data: < S0<G > F0 53 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002473C2FE970, 16 bytes long.
Data: < S0<G > C8 53 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002473C2FFB20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002473C2FE6F0, 16 bytes long.
Data: < S0<G > A0 53 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002473C3053A0, 992 bytes long.
Data: < /<G /<G > F0 E6 2F 3C 47 02 00 00 20 FB 2F 3C 47 02 00 00
{92} normal block at 0x000002473C2FF9A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002473C2FF230, 16 bytes long.
Data: < L0<G > C0 4C 30 3C 47 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002473C304CC0, 40 bytes long.
Data: <0 /<G /<G > 30 F2 2F 3C 47 02 00 00 A0 F9 2F 3C 47 02 00 00
{69} normal block at 0x000002473C2FF640, 16 bytes long.
Data: < { > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002473C2FF000, 16 bytes long.
Data: <@ { > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002473C2FE9C0, 16 bytes long.
Data: < Wx > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002473C2FEFB0, 16 bytes long.
Data: < Wx > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002473C2FF5F0, 16 bytes long.
Data: <P x > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002473C2FF1E0, 16 bytes long.
Data: <0 x > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002473C2FEEC0, 16 bytes long.
Data: < x > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002473C2FEF60, 16 bytes long.
Data: < x > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002473C2FF320, 16 bytes long.
Data: <p x > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002473C2FF140, 16 bytes long.
Data: < v > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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