Task 38684737
| Name | test_904-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND2920_0 |
| Workunit | 31626242 |
| Created | 27 Oct 2026, 17:45:59 UTC |
| Sent | 27 Oct 2026, 17:46:04 UTC |
| Report deadline | 1 Nov 2026, 17:46:04 UTC |
| Received | 27 Oct 2026, 21:35:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 590723 |
| Run time | 51 min 38 sec |
| CPU time | 45 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.48 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:25:10 (2840): wrapper (7.9.26016): starting
15:25:10 (2840): 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
15:25:11 (2840): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:25:11 (2840): 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) : {3835420} normal block at 0x00000128AEA5FFA0, 8 bytes long.
Data: < ( > 00 00 FF AE 28 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x00000128AEB3E210, 1080 bytes long.
Data: < X 4 > B8 58 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000128AEA59780, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:27:23 (12048): wrapper (7.9.26016): starting
16:27:23 (12048): 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) : {1762} normal block at 0x000001BAAD3C5C50, 8 bytes long.
Data: < 4 > 00 00 34 AD BA 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001BAAD3C6EF0, 1080 bytes long.
Data: < H > 94 03 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
16:32:27 (24504): wrapper (7.9.26016): starting
16:32:27 (24504): 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
16:35:17 (24504): C:/Windows/system32/cmd.exe exited; CPU time 136.109375
16:35:17 (24504): 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: 2635618 bytes.
Dumping objects ->
{1850} normal block at 0x000002804FCF4DE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x000002804FCF5240, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1828} normal block at 0x000002804FCF54E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1817} normal block at 0x000002804FCF50F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1806} normal block at 0x000002804FCF5010, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1775} normal block at 0x000002804FCEA530, 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) : {1762} normal block at 0x000002804FCF6AD0, 8 bytes long.
Data: < O > 00 00 C8 4F 80 02 00 00
{309} normal block at 0x000002804FCF6030, 8 bytes long.
Data: < p O > 00 70 CF 4F 80 02 00 00
{300} normal block at 0x000002804FCE7AE0, 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 0x000002804FCF6710, 16 bytes long.
Data: < o O > 08 6F CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002804FCF63A0, 16 bytes long.
Data: < n O > E0 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002804FCF09C0, 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 0x000002804FCF66C0, 16 bytes long.
Data: < n O > B8 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002804FCF5D60, 16 bytes long.
Data: < n O > 90 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002804FCF5D10, 16 bytes long.
Data: <hn O > 68 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002804FCF5CC0, 16 bytes long.
Data: <@n O > 40 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002804FCF4EC0, 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 0x000002804FCF5FE0, 16 bytes long.
Data: < O > 08 00 CE 4F 80 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002804FCF07E0, 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 0x000002804FCF6300, 16 bytes long.
Data: < O > E0 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002804FCF6940, 16 bytes long.
Data: < O > B8 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002804FCF68A0, 16 bytes long.
Data: < O > 90 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002804FCF68F0, 16 bytes long.
Data: <h O > 68 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002804FCF6850, 16 bytes long.
Data: <@ O > 40 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002804FCF6670, 16 bytes long.
Data: < O > 18 FF CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002804FCF0360, 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 0x000002804FCF6800, 16 bytes long.
Data: < O > F0 FE CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002804FCDFEF0, 320 bytes long.
Data: < h O ` O > 00 68 CF 4F 80 02 00 00 60 03 CF 4F 80 02 00 00
{279} normal block at 0x000002804FCF6620, 16 bytes long.
Data: < n O > 20 6E CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002804FCF5F90, 16 bytes long.
Data: < m O > F8 6D CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002804FCF0DE0, 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 0x000002804FCF5E50, 16 bytes long.
Data: < m O > D0 6D CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002804FCF04E0, 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 0x000002804FCF5E00, 16 bytes long.
Data: < m O > 18 6D CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002804FCF6210, 16 bytes long.
Data: < l O > F0 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002804FCF62B0, 16 bytes long.
Data: < l O > C8 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002804FCF6580, 16 bytes long.
Data: < l O > A0 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002804FCF64E0, 16 bytes long.
Data: <xl O > 78 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002804FCF5EF0, 16 bytes long.
Data: <Pl O > 50 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002804FCF6490, 16 bytes long.
Data: <`Q O > 60 51 CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002804FCF5160, 40 bytes long.
Data: < d O 0 O > 90 64 CF 4F 80 02 00 00 30 A5 CE 4F 80 02 00 00
{265} normal block at 0x000002804FCF5EA0, 16 bytes long.
Data: <0l O > 30 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002804FCF6260, 16 bytes long.
Data: < l O > 08 6C CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002804FCF0FC0, 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 0x000002804FCF6530, 16 bytes long.
Data: < k O > E0 6B CF 4F 80 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002804FCF6BE0, 992 bytes long.
Data: <0e O O > 30 65 CF 4F 80 02 00 00 C0 0F CF 4F 80 02 00 00
{97} normal block at 0x000002804FCF0D80, 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 0x000002804FCEEEB0, 16 bytes long.
Data: <p O > 70 CC CD 4F 80 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002804FCDCC70, 40 bytes long.
Data: < O O > B0 EE CE 4F 80 02 00 00 80 0D CF 4F 80 02 00 00
{74} normal block at 0x000002804FCEED20, 16 bytes long.
Data: < > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002804FCEEFF0, 16 bytes long.
Data: <@ > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002804FCEEBE0, 16 bytes long.
Data: < W > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002804FCEEFA0, 16 bytes long.
Data: < W > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002804FCEF590, 16 bytes long.
Data: <P > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002804FCEF2C0, 16 bytes long.
Data: <0 > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002804FCEF180, 16 bytes long.
Data: < > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002804FCEEB40, 16 bytes long.
Data: < > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002804FCEF540, 16 bytes long.
Data: <p > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002804FCEE9B0, 16 bytes long.
Data: < > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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