| Name | test_139-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1305_0 |
| Workunit | 31613815 |
| Created | 25 Oct 2026, 21:02:34 UTC |
| Sent | 25 Oct 2026, 21:02:40 UTC |
| Report deadline | 30 Oct 2026, 21:02:40 UTC |
| Received | 25 Oct 2026, 22:05:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646373 |
| Run time | 30 min 4 sec |
| CPU time | 27 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.98 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:05:11 (9936): wrapper (7.9.26016): starting
17:05:11 (9936): 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
17:05:12 (9936): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:05:12 (9936): 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) : {3835426} normal block at 0x00000238863BE2E0, 8 bytes long.
Data: < 8 > 00 00 82 86 38 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000023888067290, 1080 bytes long.
Data: < L > A4 4C 00 00 CD CD CD CD 14 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000238863C0530, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:15:10 (17716): wrapper (7.9.26016): starting
17:15:10 (17716): 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) : {1772} normal block at 0x00000126DA756060, 8 bytes long.
Data: < & > 00 00 C7 DA 26 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000126DA756540, 1080 bytes long.
Data: < H > 84 1A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
17:22:11 (3028): wrapper (7.9.26016): starting
17:22:11 (3028): 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) : {1772} normal block at 0x0000023C7B766710, 8 bytes long.
Data: < s{< > 00 00 73 7B 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x0000023C7B767370, 1080 bytes long.
Data: < A P > 90 41 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:25:50 (21124): wrapper (7.9.26016): starting
17:25:50 (21124): 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) : {1772} normal block at 0x000001E3C3515550, 8 bytes long.
Data: < > 00 00 A6 C3 E3 01 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x000001E3C3516480, 1080 bytes long.
Data: < Q T > 90 51 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
17:34:37 (18908): wrapper (7.9.26016): starting
17:34:37 (18908): 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) : {1772} normal block at 0x00000285D1D875F0, 8 bytes long.
Data: < > 00 00 0A D2 85 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000285D1D881B0, 1080 bytes long.
Data: <xF \ > 78 46 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
17:36:53 (20620): wrapper (7.9.26016): starting
17:36:53 (20620): 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) : {1772} normal block at 0x00000207016C5CA0, 8 bytes long.
Data: < > 00 00 AE 01 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {304} normal block at 0x00000207016C6540, 1080 bytes long.
Data: < 4 P > 80 34 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
17:47:04 (18020): wrapper (7.9.26016): starting
17:47:04 (18020): 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
18:04:39 (18020): C:/Windows/system32/cmd.exe exited; CPU time 981.734375
18:04:39 (18020): 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: 15077526 bytes.
Dumping objects ->
{1860} normal block at 0x0000012B12754490, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1849} normal block at 0x0000012B127541F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1838} normal block at 0x0000012B12754110, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1827} normal block at 0x0000012B12754420, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1816} normal block at 0x0000012B12754260, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1785} normal block at 0x0000012B1273C730, 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) : {1772} normal block at 0x0000012B12755840, 8 bytes long.
Data: < p + > 00 00 70 12 2B 01 00 00
{305} normal block at 0x0000012B12754E40, 8 bytes long.
Data: < bu + > 20 62 75 12 2B 01 00 00
{296} normal block at 0x0000012B1273E7D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000012B12755B60, 16 bytes long.
Data: <(au + > 28 61 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000012B12754EE0, 16 bytes long.
Data: < au + > 00 61 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000012B1274F800, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000012B12755BB0, 16 bytes long.
Data: < `u + > D8 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000012B12755610, 16 bytes long.
Data: < `u + > B0 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000012B12755A20, 16 bytes long.
Data: < `u + > 88 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000012B12755160, 16 bytes long.
Data: <``u + > 60 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000012B127543B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000012B12755660, 16 bytes long.
Data: <X s + > 58 B5 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000012B1274F380, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000012B12754E90, 16 bytes long.
Data: <0 s + > 30 B5 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000012B12755B10, 16 bytes long.
Data: < s + > 08 B5 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000012B12755520, 16 bytes long.
Data: < s + > E0 B4 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000012B127559D0, 16 bytes long.
Data: < s + > B8 B4 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000012B12755D90, 16 bytes long.
Data: < s + > 90 B4 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000012B127557F0, 16 bytes long.
Data: <h s + > 68 B4 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000012B1274FAA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000012B12754F30, 16 bytes long.
Data: <@ s + > 40 B4 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000012B1273B440, 320 bytes long.
Data: <0Ou + t + > 30 4F 75 12 2B 01 00 00 A0 FA 74 12 2B 01 00 00
{275} normal block at 0x0000012B127550C0, 16 bytes long.
Data: <@`u + > 40 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000012B12755980, 16 bytes long.
Data: < `u + > 18 60 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000012B1274FE60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000012B12755890, 16 bytes long.
Data: < _u + > F0 5F 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000012B1274FC80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000012B12755930, 16 bytes long.
Data: <8_u + > 38 5F 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000012B127555C0, 16 bytes long.
Data: < _u + > 10 5F 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000012B127557A0, 16 bytes long.
Data: < ^u + > E8 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000012B127558E0, 16 bytes long.
Data: < ^u + > C0 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000012B127554D0, 16 bytes long.
Data: < ^u + > 98 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000012B12755250, 16 bytes long.
Data: <p^u + > 70 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000012B12755200, 16 bytes long.
Data: < Eu + > 00 45 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000012B12754500, 40 bytes long.
Data: < Ru + 0 s + > 00 52 75 12 2B 01 00 00 30 C7 73 12 2B 01 00 00
{261} normal block at 0x0000012B12755110, 16 bytes long.
Data: <P^u + > 50 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000012B12755570, 16 bytes long.
Data: <(^u + > 28 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000012B1274FBC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000012B12755480, 16 bytes long.
Data: < ^u + > 00 5E 75 12 2B 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000012B12755E00, 992 bytes long.
Data: < Tu + t + > 80 54 75 12 2B 01 00 00 C0 FB 74 12 2B 01 00 00
{93} normal block at 0x0000012B1274F140, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000012B1274EF10, 16 bytes long.
Data: < s + > C0 C6 73 12 2B 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000012B1273C6C0, 40 bytes long.
Data: < t + @ t + > 10 EF 74 12 2B 01 00 00 40 F1 74 12 2B 01 00 00
{70} normal block at 0x0000012B1274E100, 16 bytes long.
Data: < > 80 EA E8 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000012B1274ECE0, 16 bytes long.
Data: <@ > 40 E9 E8 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000012B1274EB00, 16 bytes long.
Data: < W > F8 57 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000012B1274E0B0, 16 bytes long.
Data: < W > D8 57 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000012B1274EEC0, 16 bytes long.
Data: <P > 50 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000012B1274E6F0, 16 bytes long.
Data: <0 > 30 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000012B1274EB50, 16 bytes long.
Data: < > E0 02 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000012B1274E650, 16 bytes long.
Data: < > 10 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000012B1274EC90, 16 bytes long.
Data: <p > 70 04 E5 CD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000012B1274E1A0, 16 bytes long.
Data: < > 18 C0 E3 CD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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