Task 38660339
| Name | test_1031-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND7180_1 |
| Workunit | 31602272 |
| Created | 24 Oct 2026, 14:01:44 UTC |
| Sent | 24 Oct 2026, 17:24:16 UTC |
| Report deadline | 29 Oct 2026, 17:24:16 UTC |
| Received | 25 Oct 2026, 0:18:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644675 |
| Run time | 19 min 12 sec |
| CPU time | 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.18 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
19:10:42 (36912): wrapper (7.9.26016): starting
19:10:42 (36912): 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
19:10:43 (36912): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:10:43 (36912): 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\6\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\6\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) : {3835514} normal block at 0x000001CF2C36BDE0, 8 bytes long.
Data: < 0, > 00 00 30 2C CF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833972} normal block at 0x000001CF2E0BEA50, 1080 bytes long.
Data: < > F8 8E 00 00 CD CD CD CD 9C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001CF2C372A50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:13:57 (22028): wrapper (7.9.26016): starting
19:13:57 (22028): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001BE0D3B7740, 8 bytes long.
Data: < 3 > 00 00 33 0D BE 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001BE0D3B8620, 1080 bytes long.
Data: < 0 > E4 C2 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
Object dump complete.
19:17:02 (21164): wrapper (7.9.26016): starting
19:17:02 (21164): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x00000265ECE476F0, 8 bytes long.
Data: < 9 e > 00 00 39 ED 65 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x00000265ECE48490, 1080 bytes long.
Data: < L > 80 D3 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
19:17:47 (16644): wrapper (7.9.26016): starting
19:17:47 (16644): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001C77776A1A0, 8 bytes long.
Data: < w > 00 00 C4 77 C7 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001C77776A900, 1080 bytes long.
Data: < $ P > D8 24 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:25:52 (12580): wrapper (7.9.26016): starting
19:25:52 (12580): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000001DCADCE76D0, 8 bytes long.
Data: < > 00 00 1F AE DC 01 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000001DCADCE8650, 1080 bytes long.
Data: <`- H > 60 2D 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:27:43 (47448): wrapper (7.9.26016): starting
19:27:43 (47448): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000021C7FA775B0, 8 bytes long.
Data: < > 00 00 F1 7F 1C 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000021C7FA78620, 1080 bytes long.
Data: < L > D0 C6 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
19:30:39 (44596): wrapper (7.9.26016): starting
19:30:39 (44596): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x000002195D7C7CC0, 8 bytes long.
Data: < ] > 00 00 DE 5D 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x000002195D7C8470, 1080 bytes long.
Data: < L > A0 C0 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
19:34:39 (31180): wrapper (7.9.26016): starting
19:34:39 (31180): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000021F6B6A7830, 8 bytes long.
Data: < bk > 00 00 62 6B 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000021F6B6A8620, 1080 bytes long.
Data: < t H > 90 74 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
19:57:38 (45572): wrapper (7.9.26016): starting
19:57:38 (45572): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000020BCC5B7AA0, 8 bytes long.
Data: < T > 00 00 54 CC 0B 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000020BCC5B8430, 1080 bytes long.
Data: <8n P > 38 6E 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
20:02:41 (16332): wrapper (7.9.26016): starting
20:02:41 (16332): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000023F929C9060, 8 bytes long.
Data: < ? > 00 00 E5 92 3F 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000023F929C9CC0, 1080 bytes long.
Data: < H > 18 CC 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
20:08:03 (32572): wrapper (7.9.26016): starting
20:08:03 (32572): 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\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1853} normal block at 0x0000029B33D97B30, 8 bytes long.
Data: < +4 > 00 00 2B 34 9B 02 00 00
..\lib\diagnostics_win.cpp(417) : {311} normal block at 0x0000029B33D97FC0, 1080 bytes long.
Data: <L D > 4C 92 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
20:13:32 (53016): wrapper (7.9.26016): starting
20:13:32 (53016): 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\6\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
20:17:38 (53016): C:/Windows/system32/cmd.exe exited; CPU time 218.328125
20:17:38 (53016): 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: 6143600 bytes.
Dumping objects ->
{1941} normal block at 0x000001D6178A7AF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1930} normal block at 0x000001D6178A78C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1919} normal block at 0x000001D6178A7700, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1908} normal block at 0x000001D6178A74D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1897} normal block at 0x000001D6178A7A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1866} normal block at 0x000001D6178A2C50, 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) : {1853} normal block at 0x000001D6178A8160, 8 bytes long.
Data: < > 00 00 86 17 D6 01 00 00
{312} normal block at 0x000001D6178A88E0, 8 bytes long.
Data: < > C0 92 8A 17 D6 01 00 00
{303} normal block at 0x000001D6178989E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001D6178A8840, 16 bytes long.
Data: < > C8 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D6178A87A0, 16 bytes long.
Data: < > A0 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D6178A06E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001D6178A8750, 16 bytes long.
Data: <x > 78 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D6178A8610, 16 bytes long.
Data: <P > 50 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D6178A8110, 16 bytes long.
Data: <( > 28 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D6178A8520, 16 bytes long.
Data: < > 00 91 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D6178A7770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001D6178A80C0, 16 bytes long.
Data: < > C8 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D6178A03E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001D6178A8C50, 16 bytes long.
Data: < > A0 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D6178A87F0, 16 bytes long.
Data: <x > 78 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D6178A8A70, 16 bytes long.
Data: <P > 50 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D6178A8480, 16 bytes long.
Data: <( > 28 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D6178A7F30, 16 bytes long.
Data: < > 00 AE 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D6178A8430, 16 bytes long.
Data: < > D8 AD 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D6178A0560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001D6178A8660, 16 bytes long.
Data: < > B0 AD 89 17 D6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D61789ADB0, 320 bytes long.
Data: <` ` > 60 86 8A 17 D6 01 00 00 60 05 8A 17 D6 01 00 00
{282} normal block at 0x000001D6178A8B60, 16 bytes long.
Data: < > E0 90 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D6178A8C00, 16 bytes long.
Data: < > B8 90 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D6178A0B00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001D6178A8BB0, 16 bytes long.
Data: < > 90 90 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D6178A0380, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001D6178A83E0, 16 bytes long.
Data: < > D8 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D6178A86B0, 16 bytes long.
Data: < > B0 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D6178A8250, 16 bytes long.
Data: < > 88 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D6178A8B10, 16 bytes long.
Data: <` > 60 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D6178A8070, 16 bytes long.
Data: <8 > 38 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D6178A84D0, 16 bytes long.
Data: < > 10 8F 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D6178A8AC0, 16 bytes long.
Data: <`t > 60 74 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D6178A7460, 40 bytes long.
Data: < P, > C0 8A 8A 17 D6 01 00 00 50 2C 8A 17 D6 01 00 00
{268} normal block at 0x000001D6178A8020, 16 bytes long.
Data: < > F0 8E 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D6178A82A0, 16 bytes long.
Data: < > C8 8E 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D6178A0800, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001D6178A8570, 16 bytes long.
Data: < > A0 8E 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D6178A8EA0, 992 bytes long.
Data: <p > 70 85 8A 17 D6 01 00 00 00 08 8A 17 D6 01 00 00
{100} normal block at 0x000001D6178A0140, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001D61789C860, 16 bytes long.
Data: < s > F0 73 8A 17 D6 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001D6178A73F0, 40 bytes long.
Data: <` @ > 60 C8 89 17 D6 01 00 00 40 01 8A 17 D6 01 00 00
{77} normal block at 0x000001D61789CA40, 16 bytes long.
Data: < > 80 EA 84 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D61789C0E0, 16 bytes long.
Data: <@ > 40 E9 84 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D61789C090, 16 bytes long.
Data: < W > F8 57 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D61789C400, 16 bytes long.
Data: < W > D8 57 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D61789C7C0, 16 bytes long.
Data: <P > 50 04 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D61789BFA0, 16 bytes long.
Data: <0 > 30 04 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D61789C040, 16 bytes long.
Data: < > E0 02 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D61789CA90, 16 bytes long.
Data: < > 10 04 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D61789C770, 16 bytes long.
Data: <p > 70 04 81 F2 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D61789C3B0, 16 bytes long.
Data: < > 18 C0 7F F2 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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