Task 38683481
| Name | test_335-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6036_0 |
| Workunit | 31625036 |
| Created | 27 Oct 2026, 11:58:24 UTC |
| Sent | 27 Oct 2026, 11:58:26 UTC |
| Report deadline | 1 Nov 2026, 11:58:26 UTC |
| Received | 27 Oct 2026, 15:54:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651032 |
| Run time | 1 hours 24 min 57 sec |
| CPU time | 1 hours 16 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,503.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.02 MB |
| Peak swap size | 6.72 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:29:51 (9412): wrapper (7.9.26016): starting
14:29:51 (9412): 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
14:29:54 (9412): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:29:54 (9412): 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:\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 'D:\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) : {3835449} normal block at 0x000001A0F867EB60, 8 bytes long.
Data: < > 00 00 1A FA A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833970} normal block at 0x000001A0FA3D74B0, 1080 bytes long.
Data: < < > 9C 0B 00 00 CD CD CD CD 3C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001A0F867FA30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:21:36 (20672): wrapper (7.9.26016): starting
16:21:36 (20672): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ya existe el subdirectorio o el archivo D:\BOINC\slots\16\tmp.
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
16:53:42 (20672): C:/Windows/system32/cmd.exe exited; CPU time 1789.156250
16:53:42 (20672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 46365753 bytes.
Dumping objects ->
{1878} normal block at 0x00000249FCAC78A0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1867} normal block at 0x00000249FCAC15E0, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1856} normal block at 0x00000249FCAC0F20, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{1845} normal block at 0x00000249FCAC1340, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1834} normal block at 0x00000249FCAC13A0, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{1803} normal block at 0x00000249FCAC7A60, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{1792} normal block at 0x00000249FCAC0710, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1789} normal block at 0x00000249FCAC5E40, 8 bytes long.
Data: < I > 00 00 A8 FC 49 02 00 00
{1046} normal block at 0x00000249FCAAD150, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{311} normal block at 0x00000249FCAC6840, 8 bytes long.
Data: < ~ I > A0 7E AC FC 49 02 00 00
{302} normal block at 0x00000249FCAB74E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000249FCAC5F30, 16 bytes long.
Data: < u I > 98 75 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000249FCAC6570, 16 bytes long.
Data: <pu I > 70 75 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000249FCAC1700, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000249FCAC66B0, 16 bytes long.
Data: <Hu I > 48 75 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000249FCAC67F0, 16 bytes long.
Data: < u I > 20 75 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000249FCAC64D0, 16 bytes long.
Data: < t I > F8 74 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000249FCAC6610, 16 bytes long.
Data: < t I > D0 74 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000249FCAC79F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000249FCAC5DF0, 16 bytes long.
Data: < I > A8 FD AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000249FCAC1160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000249FCAC6520, 16 bytes long.
Data: < I > 80 FD AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000249FCAC62A0, 16 bytes long.
Data: <X I > 58 FD AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000249FCAC6AC0, 16 bytes long.
Data: <0 I > 30 FD AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000249FCAC6890, 16 bytes long.
Data: < I > 08 FD AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000249FCAC67A0, 16 bytes long.
Data: < I > E0 FC AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000249FCAC65C0, 16 bytes long.
Data: < I > B8 FC AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000249FCAC0F80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000249FCAC5FD0, 16 bytes long.
Data: < I > 90 FC AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000249FCAAFC90, 320 bytes long.
Data: < _ I I > D0 5F AC FC 49 02 00 00 80 0F AC FC 49 02 00 00
{281} normal block at 0x00000249FCAC6BB0, 16 bytes long.
Data: < t I > B0 74 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000249FCAC6B60, 16 bytes long.
Data: < t I > 88 74 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000249FCAC1BE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000249FCAC6A70, 16 bytes long.
Data: <`t I > 60 74 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000249FCAC1820, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000249FCAC6750, 16 bytes long.
Data: < s I > A8 73 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000249FCAC5DA0, 16 bytes long.
Data: < s I > 80 73 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000249FCAC60C0, 16 bytes long.
Data: <Xs I > 58 73 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000249FCAC6070, 16 bytes long.
Data: <0s I > 30 73 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000249FCAC6C00, 16 bytes long.
Data: < s I > 08 73 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000249FCAC6160, 16 bytes long.
Data: < r I > E0 72 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000249FCAC5EE0, 16 bytes long.
Data: < I > E0 07 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000249FCAC07E0, 40 bytes long.
Data: < ^ I `z I > E0 5E AC FC 49 02 00 00 60 7A AC FC 49 02 00 00
{267} normal block at 0x00000249FCAC6480, 16 bytes long.
Data: < r I > C0 72 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000249FCAC6930, 16 bytes long.
Data: < r I > 98 72 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000249FCAC1460, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000249FCAC5D50, 16 bytes long.
Data: <pr I > 70 72 AC FC 49 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000249FCAC7270, 992 bytes long.
Data: <P] I ` I > 50 5D AC FC 49 02 00 00 60 14 AC FC 49 02 00 00
{99} normal block at 0x00000249FCAC1580, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000249FCABEED0, 16 bytes long.
Data: <P I > 50 98 AA FC 49 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000249FCAA9850, 40 bytes long.
Data: < I I > D0 EE AB FC 49 02 00 00 80 15 AC FC 49 02 00 00
{76} normal block at 0x00000249FCABF0B0, 16 bytes long.
Data: < > 80 EA DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000249FCABEA20, 16 bytes long.
Data: <@ > 40 E9 DB 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000249FCABE8E0, 16 bytes long.
Data: < W > F8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000249FCABE520, 16 bytes long.
Data: < W > D8 57 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000249FCABECF0, 16 bytes long.
Data: <P > 50 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000249FCABE840, 16 bytes long.
Data: <0 > 30 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000249FCABEBB0, 16 bytes long.
Data: < > E0 02 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000249FCABE700, 16 bytes long.
Data: < > 10 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000249FCABE7A0, 16 bytes long.
Data: <p > 70 04 D8 12 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000249FCABE980, 16 bytes long.
Data: < > 18 C0 D6 12 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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