Task 38696229
| Name | test_347-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5211_0 |
| Workunit | 31636873 |
| Created | 31 Oct 2026, 21:00:55 UTC |
| Sent | 31 Oct 2026, 21:00:58 UTC |
| Report deadline | 5 Nov 2026, 21:00:58 UTC |
| Received | 2 Nov 2026, 23:24:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653381 |
| Run time | 44 min 26 sec |
| CPU time | 42 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,493.80 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 643.38 MB |
| Peak swap size | 2.97 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:21:28 (12508): wrapper (7.9.26016): starting
10:21:28 (12508): 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
10:21:45 (12508): Library/usr/bin/tar.exe exited; CPU time 0.078125
10:21:45 (12508): 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\4\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\4\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) : {3835213} normal block at 0x000002091E0E8510, 8 bytes long.
Data: < > 00 00 B1 1F 09 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000002091FD03A00, 1080 bytes long.
Data: <8( > 38 28 00 00 CD CD CD CD C0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002091E0F2760, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:50:06 (32640): wrapper (7.9.26016): starting
10:50:06 (32640): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x0000026BD3253F70, 8 bytes long.
Data: < " k > 00 00 22 D3 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000026BD3255040, 1080 bytes long.
Data: < 6 H > DC 36 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:00:48 (24308): wrapper (7.9.26016): starting
11:00:48 (24308): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x0000025E41CC51A0, 8 bytes long.
Data: < fC^ > 00 00 66 43 5E 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000025E41CC60D0, 1080 bytes long.
Data: <X L > 58 1D 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
12:00:39 (9308): wrapper (7.9.26016): starting
12:00:39 (9308): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x000002241C155140, 8 bytes long.
Data: < $ > 00 00 10 1C 24 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000002241C155C60, 1080 bytes long.
Data: < P > BC 14 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:52:55 (32080): wrapper (7.9.26016): starting
12:52:55 (32080): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x000001E65DD155D0, 8 bytes long.
Data: < ] > 00 00 CD 5D E6 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001E65DD168C0, 1080 bytes long.
Data: < e P > B8 65 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:05:00 (26772): wrapper (7.9.26016): starting
13:05:00 (26772): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x000001DEB72F3ED0, 8 bytes long.
Data: < > 00 00 C0 B8 DE 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001DEB72F5270, 1080 bytes long.
Data: < ~ H > D4 7E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:38:43 (23772): wrapper (7.9.26016): starting
13:38:43 (23772): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x0000021A07AE4260, 8 bytes long.
Data: < H > 00 00 48 09 1A 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000021A07AE4E80, 1080 bytes long.
Data: < S P > DC 53 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:56:43 (19756): wrapper (7.9.26016): starting
13:56:43 (19756): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x000001CCD6393DE0, 8 bytes long.
Data: < 3 > 00 00 33 D6 CC 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001CCD6395270, 1080 bytes long.
Data: <|~ H > 7C 7E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:07:48 (5316): wrapper (7.9.26016): starting
15:07:48 (5316): 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\4\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1555} normal block at 0x000001F3540E3920, 8 bytes long.
Data: < U > 00 00 9A 55 F3 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001F3540E5260, 1080 bytes long.
Data: < j H > E8 6A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
15:58:35 (39092): wrapper (7.9.26016): starting
15:58:39 (39092): 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\4\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
10:23:24 (39092): C:/Windows/system32/cmd.exe exited; CPU time 848.562500
10:23:24 (39092): 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: 1065101444 bytes.
Dumping objects ->
{1643} normal block at 0x00000232F65AE9B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1632} normal block at 0x00000232F65AE8D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1621} normal block at 0x00000232F65AE860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1610} normal block at 0x00000232F65AEDA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1599} normal block at 0x00000232F65AE940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1568} normal block at 0x00000232F6599D00, 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) : {1555} normal block at 0x00000232F65B3440, 8 bytes long.
Data: < 2 > 00 00 F8 F7 32 02 00 00
{309} normal block at 0x00000232F65B4340, 8 bytes long.
Data: < K[ 2 > D0 4B 5B F6 32 02 00 00
{300} normal block at 0x00000232F6596A10, 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 0x00000232F65B33F0, 16 bytes long.
Data: < J[ 2 > D8 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000232F65B3580, 16 bytes long.
Data: < J[ 2 > B0 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000232F65AC200, 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 0x00000232F65B42F0, 16 bytes long.
Data: < J[ 2 > 88 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000232F65B42A0, 16 bytes long.
Data: <`J[ 2 > 60 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000232F65B4250, 16 bytes long.
Data: <8J[ 2 > 38 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000232F65B4200, 16 bytes long.
Data: < J[ 2 > 10 4A 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000232F65AEB70, 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 0x00000232F65B4070, 16 bytes long.
Data: < iY 2 > A8 69 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000232F65AC560, 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 0x00000232F65B3F80, 16 bytes long.
Data: < iY 2 > 80 69 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000232F65B3E40, 16 bytes long.
Data: <XiY 2 > 58 69 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000232F65B3F30, 16 bytes long.
Data: <0iY 2 > 30 69 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000232F65B3AD0, 16 bytes long.
Data: < iY 2 > 08 69 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000232F65B3710, 16 bytes long.
Data: < hY 2 > E0 68 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000232F65B3DF0, 16 bytes long.
Data: < hY 2 > B8 68 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000232F65AC8C0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{281} normal block at 0x00000232F65B3B20, 16 bytes long.
Data: < hY 2 > 90 68 59 F6 32 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000232F6596890, 320 bytes long.
Data: < ;[ 2 Z 2 > 20 3B 5B F6 32 02 00 00 C0 C8 5A F6 32 02 00 00
{279} normal block at 0x00000232F65B3DA0, 16 bytes long.
Data: < I[ 2 > F0 49 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000232F65B3990, 16 bytes long.
Data: < I[ 2 > C8 49 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000232F65AC800, 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 0x00000232F65B41B0, 16 bytes long.
Data: < I[ 2 > A0 49 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000232F65AC9E0, 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 0x00000232F65B3EE0, 16 bytes long.
Data: < H[ 2 > E8 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000232F65B3A30, 16 bytes long.
Data: < H[ 2 > C0 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000232F65B3940, 16 bytes long.
Data: < H[ 2 > 98 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000232F65B3B70, 16 bytes long.
Data: <pH[ 2 > 70 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000232F65B4160, 16 bytes long.
Data: <HH[ 2 > 48 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000232F65B3530, 16 bytes long.
Data: < H[ 2 > 20 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000232F65B38F0, 16 bytes long.
Data: < Z 2 > 10 E7 5A F6 32 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000232F65AE710, 40 bytes long.
Data: < 8[ 2 Y 2 > F0 38 5B F6 32 02 00 00 00 9D 59 F6 32 02 00 00
{265} normal block at 0x00000232F65B38A0, 16 bytes long.
Data: < H[ 2 > 00 48 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000232F65B3D00, 16 bytes long.
Data: < G[ 2 > D8 47 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000232F65AC980, 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 0x00000232F65B3C60, 16 bytes long.
Data: < G[ 2 > B0 47 5B F6 32 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000232F65B47B0, 992 bytes long.
Data: <`<[ 2 Z 2 > 60 3C 5B F6 32 02 00 00 80 C9 5A F6 32 02 00 00
{97} normal block at 0x00000232F65ABF00, 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 0x00000232F65A7970, 16 bytes long.
Data: <0 Z 2 > 30 ED 5A F6 32 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000232F65AED30, 40 bytes long.
Data: <pyZ 2 Z 2 > 70 79 5A F6 32 02 00 00 00 BF 5A F6 32 02 00 00
{74} normal block at 0x00000232F65A7B50, 16 bytes long.
Data: < i > 80 EA 69 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000232F65A8000, 16 bytes long.
Data: <@ i > 40 E9 69 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000232F65A7100, 16 bytes long.
Data: < Wf > F8 57 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000232F65A7BF0, 16 bytes long.
Data: < Wf > D8 57 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000232F65A7470, 16 bytes long.
Data: <P f > 50 04 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000232F65A72E0, 16 bytes long.
Data: <0 f > 30 04 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000232F65A7920, 16 bytes long.
Data: < f > E0 02 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000232F65A7330, 16 bytes long.
Data: < f > 10 04 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000232F65A7FB0, 16 bytes long.
Data: <p f > 70 04 66 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000232F65A7E70, 16 bytes long.
Data: < d > 18 C0 64 88 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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