Task 38668248
| Name | test_36-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7385_0 |
| Workunit | 31610796 |
| Created | 25 Oct 2026, 11:11:04 UTC |
| Sent | 25 Oct 2026, 11:11:09 UTC |
| Report deadline | 30 Oct 2026, 11:11:09 UTC |
| Received | 25 Oct 2026, 12:59:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 27 min 45 sec |
| CPU time | 26 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.51 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:18:28 (13844): wrapper (7.9.26016): starting
13:18:28 (13844): 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
13:18:29 (13844): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:18:29 (13844): 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) : {3835481} normal block at 0x0000022EF73EF570, 8 bytes long.
Data: < : . > 00 00 3A F7 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x0000022EF74CE540, 1080 bytes long.
Data: <x > 78 09 00 00 CD CD CD CD 88 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022EF73F1560, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:39:44 (14172): wrapper (7.9.26016): starting
13:39:44 (14172): 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) : {1823} normal block at 0x000001D097C38450, 8 bytes long.
Data: < > 00 00 C0 97 D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D097C38FC0, 1080 bytes long.
Data: <, L > 2C 0F 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
13:54:21 (32160): wrapper (7.9.26016): starting
13:54:21 (32160): 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
13:58:45 (32160): C:/Windows/system32/cmd.exe exited; CPU time 252.531250
13:58:45 (32160): 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: 6318918 bytes.
Dumping objects ->
{1911} normal block at 0x0000026ED8195080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1900} normal block at 0x0000026ED8195010, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1889} normal block at 0x0000026ED8194C90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1878} normal block at 0x0000026ED8194DE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1867} normal block at 0x0000026ED8194EC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1836} normal block at 0x0000026ED817F670, 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) : {1823} normal block at 0x0000026ED8196040, 8 bytes long.
Data: < g n > 00 00 67 D8 6E 02 00 00
{309} normal block at 0x0000026ED8195FF0, 8 bytes long.
Data: < l n > F0 6C 19 D8 6E 02 00 00
{300} normal block at 0x0000026ED8186320, 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 0x0000026ED81959B0, 16 bytes long.
Data: < k n > F8 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000026ED8195AA0, 16 bytes long.
Data: < k n > D0 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000026ED818DCC0, 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 0x0000026ED81963B0, 16 bytes long.
Data: < k n > A8 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000026ED8196270, 16 bytes long.
Data: < k n > 80 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026ED8195F50, 16 bytes long.
Data: <Xk n > 58 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026ED8196130, 16 bytes long.
Data: <0k n > 30 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026ED8194FA0, 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 0x0000026ED8196720, 16 bytes long.
Data: < n > E8 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026ED818DC60, 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 0x0000026ED8195FA0, 16 bytes long.
Data: < n > C0 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026ED8195960, 16 bytes long.
Data: < n > 98 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026ED8195F00, 16 bytes long.
Data: <p n > 70 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026ED8195EB0, 16 bytes long.
Data: <H n > 48 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026ED8195A50, 16 bytes long.
Data: < n > 20 F1 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026ED8195910, 16 bytes long.
Data: < n > F8 F0 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026ED818DEA0, 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 0x0000026ED8195E60, 16 bytes long.
Data: < n > D0 F0 17 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026ED817F0D0, 320 bytes long.
Data: <`^ n n > 60 5E 19 D8 6E 02 00 00 A0 DE 18 D8 6E 02 00 00
{279} normal block at 0x0000026ED8196810, 16 bytes long.
Data: < k n > 10 6B 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026ED8196360, 16 bytes long.
Data: < j n > E8 6A 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026ED818D9C0, 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 0x0000026ED8195DC0, 16 bytes long.
Data: < j n > C0 6A 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026ED818E440, 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 0x0000026ED8196770, 16 bytes long.
Data: < j n > 08 6A 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026ED8196400, 16 bytes long.
Data: < i n > E0 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026ED81966D0, 16 bytes long.
Data: < i n > B8 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026ED81965E0, 16 bytes long.
Data: < i n > 90 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026ED8195E10, 16 bytes long.
Data: <hi n > 68 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026ED8195D70, 16 bytes long.
Data: <@i n > 40 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026ED8196220, 16 bytes long.
Data: <PN n > 50 4E 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026ED8194E50, 40 bytes long.
Data: < b n p n > 20 62 19 D8 6E 02 00 00 70 F6 17 D8 6E 02 00 00
{265} normal block at 0x0000026ED8196680, 16 bytes long.
Data: < i n > 20 69 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026ED8195A00, 16 bytes long.
Data: < h n > F8 68 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026ED818DD80, 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 0x0000026ED81964A0, 16 bytes long.
Data: < h n > D0 68 19 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026ED81968D0, 992 bytes long.
Data: < d n n > A0 64 19 D8 6E 02 00 00 80 DD 18 D8 6E 02 00 00
{97} normal block at 0x0000026ED818D720, 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 0x0000026ED818F640, 16 bytes long.
Data: <` n > 60 EE 18 D8 6E 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000026ED818EE60, 40 bytes long.
Data: <@ n n > 40 F6 18 D8 6E 02 00 00 20 D7 18 D8 6E 02 00 00
{74} normal block at 0x0000026ED818F9B0, 16 bytes long.
Data: < r > 80 EA 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000026ED818F5F0, 16 bytes long.
Data: <@ r > 40 E9 72 EA F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000026ED818F870, 16 bytes long.
Data: < Wo > F8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000026ED818F780, 16 bytes long.
Data: < Wo > D8 57 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000026ED818FB90, 16 bytes long.
Data: <P o > 50 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026ED818F190, 16 bytes long.
Data: <0 o > 30 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026ED818F410, 16 bytes long.
Data: < o > E0 02 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026ED818F0F0, 16 bytes long.
Data: < o > 10 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026ED818F550, 16 bytes long.
Data: <p o > 70 04 6F EA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026ED818F820, 16 bytes long.
Data: < m > 18 C0 6D EA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra