Task 38681825
| Name | test_352-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2119_0 |
| Workunit | 31623472 |
| Created | 27 Oct 2026, 5:30:19 UTC |
| Sent | 27 Oct 2026, 5:30:33 UTC |
| Report deadline | 1 Nov 2026, 5:30:33 UTC |
| Received | 27 Oct 2026, 6:10:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 19 min 31 sec |
| CPU time | 19 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.90 MB |
| Peak swap size | 13.02 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:31:48 (33008): wrapper (7.9.26016): starting
06:31:48 (33008): 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
06:31:49 (33008): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:31:49 (33008): 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\1\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\1\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) : {3835431} normal block at 0x00000181143CDDD0, 8 bytes long.
Data: < > 00 00 8A 14 81 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000018116174770, 1080 bytes long.
Data: <X 4 > 58 81 00 00 CD CD CD CD 34 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000181143D1BE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:39:33 (37796): wrapper (7.9.26016): starting
06:39:33 (37796): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x000001E8F3906530, 8 bytes long.
Data: < > 00 00 DD F3 E8 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001E8F3907000, 1080 bytes long.
Data: <8b L > 38 62 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
06:46:36 (23856): wrapper (7.9.26016): starting
06:46:36 (23856): 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\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1773} normal block at 0x00000253C0A16780, 8 bytes long.
Data: < S > 00 00 EA C0 53 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000253C0A16FD0, 1080 bytes long.
Data: <LA H > 4C 41 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
06:51:18 (19368): wrapper (7.9.26016): starting
06:51:18 (19368): 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\1\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
07:09:55 (19368): C:/Windows/system32/cmd.exe exited; CPU time 863.140625
07:09:55 (19368): 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: 21383408 bytes.
Dumping objects ->
{1861} normal block at 0x0000020E58B84530, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1850} normal block at 0x0000020E58B84060, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1839} normal block at 0x0000020E58B840D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1828} normal block at 0x0000020E58B84220, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1817} normal block at 0x0000020E58B843E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1786} normal block at 0x0000020E58B796D0, 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) : {1773} normal block at 0x0000020E58B85E20, 8 bytes long.
Data: < Y > 00 00 0C 59 0E 02 00 00
{309} normal block at 0x0000020E58B85D80, 8 bytes long.
Data: < p X > 20 70 B8 58 0E 02 00 00
{300} normal block at 0x0000020E58B76F50, 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 0x0000020E58B868C0, 16 bytes long.
Data: <(o X > 28 6F B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000020E58B861E0, 16 bytes long.
Data: < o X > 00 6F B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020E58B7FBA0, 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 0x0000020E58B86500, 16 bytes long.
Data: < n X > D8 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020E58B86780, 16 bytes long.
Data: < n X > B0 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020E58B86AF0, 16 bytes long.
Data: < n X > 88 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020E58B85C90, 16 bytes long.
Data: <`n X > 60 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020E58B844C0, 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 0x0000020E58B85F60, 16 bytes long.
Data: < X > 18 F3 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020E58B7FFC0, 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 0x0000020E58B86870, 16 bytes long.
Data: < X > F0 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020E58B860F0, 16 bytes long.
Data: < X > C8 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020E58B86370, 16 bytes long.
Data: < X > A0 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020E58B86460, 16 bytes long.
Data: <x X > 78 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020E58B860A0, 16 bytes long.
Data: <P X > 50 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020E58B86140, 16 bytes long.
Data: <( X > 28 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020E58B7FE40, 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 0x0000020E58B86320, 16 bytes long.
Data: < X > 00 F2 B6 58 0E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020E58B6F200, 320 bytes long.
Data: < c X @ X > 20 63 B8 58 0E 02 00 00 40 FE B7 58 0E 02 00 00
{279} normal block at 0x0000020E58B867D0, 16 bytes long.
Data: <@n X > 40 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020E58B86190, 16 bytes long.
Data: < n X > 18 6E B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020E58B80140, 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 0x0000020E58B86230, 16 bytes long.
Data: < m X > F0 6D B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020E58B7FF60, 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 0x0000020E58B85D30, 16 bytes long.
Data: <8m X > 38 6D B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020E58B865A0, 16 bytes long.
Data: < m X > 10 6D B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020E58B85F10, 16 bytes long.
Data: < l X > E8 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020E58B86A50, 16 bytes long.
Data: < l X > C0 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020E58B86730, 16 bytes long.
Data: < l X > 98 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020E58B869B0, 16 bytes long.
Data: <pl X > 70 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020E58B85EC0, 16 bytes long.
Data: <pC X > 70 43 B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020E58B84370, 40 bytes long.
Data: < ^ X X > C0 5E B8 58 0E 02 00 00 D0 96 B7 58 0E 02 00 00
{265} normal block at 0x0000020E58B85CE0, 16 bytes long.
Data: <Pl X > 50 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020E58B86050, 16 bytes long.
Data: <(l X > 28 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020E58B7FA20, 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 0x0000020E58B86820, 16 bytes long.
Data: < l X > 00 6C B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020E58B86C00, 992 bytes long.
Data: < h X X > 20 68 B8 58 0E 02 00 00 20 FA B7 58 0E 02 00 00
{97} normal block at 0x0000020E58B7F6C0, 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 0x0000020E58B7E4B0, 16 bytes long.
Data: < F X > 80 46 B8 58 0E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000020E58B84680, 40 bytes long.
Data: < X X > B0 E4 B7 58 0E 02 00 00 C0 F6 B7 58 0E 02 00 00
{74} normal block at 0x0000020E58B7E410, 16 bytes long.
Data: < T > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000020E58B7E0F0, 16 bytes long.
Data: <@ T > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000020E58B7E140, 16 bytes long.
Data: < WQ > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000020E58B7E320, 16 bytes long.
Data: < WQ > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020E58B7DDD0, 16 bytes long.
Data: <P Q > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020E58B7DBF0, 16 bytes long.
Data: <0 Q > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020E58B7DF60, 16 bytes long.
Data: < Q > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020E58B7DF10, 16 bytes long.
Data: < Q > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020E58B7E5A0, 16 bytes long.
Data: <p Q > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020E58B7DEC0, 16 bytes long.
Data: < O > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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