Task 38684305
| Name | test_206-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0044_0 |
| Workunit | 31625824 |
| Created | 27 Oct 2026, 15:44:45 UTC |
| Sent | 27 Oct 2026, 15:44:47 UTC |
| Report deadline | 1 Nov 2026, 15:44:47 UTC |
| Received | 27 Oct 2026, 20:53:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632067 |
| Run time | 1 hours 39 min 57 sec |
| CPU time | 1 hours 36 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,333.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.96 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:50:32 (24436): wrapper (7.9.26016): starting
10:50:32 (24436): 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
10:50:33 (24436): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:50:33 (24436): 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) : {3835350} normal block at 0x0000020E25FB09F0, 8 bytes long.
Data: < F& > 00 00 46 26 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x0000020E27D7EBE0, 1080 bytes long.
Data: < - > EC 2D 00 00 CD CD CD CD C4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020E25FA67F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:46:38 (18196): wrapper (7.9.26016): starting
11:46:38 (18196): 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) : {1693} normal block at 0x0000020A6C446DC0, 8 bytes long.
Data: < l > 00 00 8F 6C 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000020A6C447CF0, 1080 bytes long.
Data: < \ > C0 20 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
12:05:34 (26124): wrapper (7.9.26016): starting
12:05:34 (26124): 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) : {1693} normal block at 0x000001CDFED66620, 8 bytes long.
Data: < ; > 00 00 3B FF CD 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001CDFED67000, 1080 bytes long.
Data: < w , > F0 77 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
12:37:57 (26440): wrapper (7.9.26016): starting
12:37:57 (26440): 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) : {1693} normal block at 0x000001DF2B346250, 8 bytes long.
Data: < /+ > 00 00 2F 2B DF 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001DF2B347090, 1080 bytes long.
Data: < b H > CC 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:43:54 (3692): wrapper (7.9.26016): starting
12:43:54 (3692): 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) : {1693} normal block at 0x000001BCE1346170, 8 bytes long.
Data: < - > 00 00 2D E1 BC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001BCE1347000, 1080 bytes long.
Data: <Dl , > 44 6C 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
13:06:50 (23524): wrapper (7.9.26016): starting
13:06:50 (23524): 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) : {1693} normal block at 0x0000014085AF5E00, 8 bytes long.
Data: < @ > 00 00 16 86 40 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000014085AF7000, 1080 bytes long.
Data: < n H > B8 6E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:36:44 (24412): wrapper (7.9.26016): starting
13:36:44 (24412): 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) : {1693} normal block at 0x00000168508868A0, 8 bytes long.
Data: < Ph > 00 00 C7 50 68 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000016850887000, 1080 bytes long.
Data: < O P > F4 4F 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:43:58 (5864): wrapper (7.9.26016): starting
13:43:58 (5864): 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) : {1693} normal block at 0x00000176490E6800, 8 bytes long.
Data: < Iv > 00 00 06 49 76 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x00000176490E7000, 1080 bytes long.
Data: < V \ > B4 56 00 00 CD CD CD CD 5C 01 00 00 00 00 00 00
Object dump complete.
14:16:16 (3644): wrapper (7.9.26016): starting
14:16:16 (3644): 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) : {1693} normal block at 0x000002192E0D6B20, 8 bytes long.
Data: < h. > 00 00 68 2E 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000002192E0D7000, 1080 bytes long.
Data: < V , > DC 56 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
15:16:56 (13588): wrapper (7.9.26016): starting
15:16:56 (13588): 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) : {1693} normal block at 0x0000018748E56400, 8 bytes long.
Data: < H > 00 00 DD 48 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000018748E56CA0, 1080 bytes long.
Data: < < P > AC 3C 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
15:20:47 (16252): wrapper (7.9.26016): starting
15:20:47 (16252): 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
15:52:45 (16252): C:/Windows/system32/cmd.exe exited; CPU time 1858.484375
15:52:45 (16252): 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: 34713772 bytes.
Dumping objects ->
{1781} normal block at 0x00000187BD316250, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1770} normal block at 0x00000187BD3163A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1759} normal block at 0x00000187BD3162C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1748} normal block at 0x00000187BD316640, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1737} normal block at 0x00000187BD316790, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1706} normal block at 0x00000187BD2FBC80, 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) : {1693} normal block at 0x00000187BD316CD0, 8 bytes long.
Data: < ~ > 00 00 7E BD 87 01 00 00
{308} normal block at 0x00000187BD316B90, 8 bytes long.
Data: < |1 > F0 7C 31 BD 87 01 00 00
{299} normal block at 0x00000187BD308400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x00000187BD3177C0, 16 bytes long.
Data: < {1 > F8 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000187BD316AA0, 16 bytes long.
Data: < {1 > D0 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000187BD30FC20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000187BD316D70, 16 bytes long.
Data: < {1 > A8 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000187BD317220, 16 bytes long.
Data: < {1 > 80 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000187BD316EB0, 16 bytes long.
Data: <X{1 > 58 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000187BD317810, 16 bytes long.
Data: <0{1 > 30 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000187BD316330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000187BD316A00, 16 bytes long.
Data: < 0 > A8 02 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000187BD30F920, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000187BD316B40, 16 bytes long.
Data: < 0 > 80 02 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000187BD317270, 16 bytes long.
Data: <X 0 > 58 02 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000187BD317680, 16 bytes long.
Data: <0 0 > 30 02 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000187BD316C80, 16 bytes long.
Data: < 0 > 08 02 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000187BD317590, 16 bytes long.
Data: < 0 > E0 01 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000187BD316BE0, 16 bytes long.
Data: < 0 > B8 01 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000187BD30FBC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000187BD317630, 16 bytes long.
Data: < 0 > 90 01 30 BD 87 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000187BD300190, 320 bytes long.
Data: <0v1 0 > 30 76 31 BD 87 01 00 00 C0 FB 30 BD 87 01 00 00
{278} normal block at 0x00000187BD317770, 16 bytes long.
Data: < {1 > 10 7B 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000187BD3174A0, 16 bytes long.
Data: < z1 > E8 7A 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000187BD310280, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000187BD316DC0, 16 bytes long.
Data: < z1 > C0 7A 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000187BD30FE60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000187BD317540, 16 bytes long.
Data: < z1 > 08 7A 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000187BD3176D0, 16 bytes long.
Data: < y1 > E0 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000187BD3171D0, 16 bytes long.
Data: < y1 > B8 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000187BD316FA0, 16 bytes long.
Data: < y1 > 90 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000187BD316AF0, 16 bytes long.
Data: <hy1 > 68 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000187BD316E10, 16 bytes long.
Data: <@y1 > 40 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000187BD3174F0, 16 bytes long.
Data: < g1 > 20 67 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000187BD316720, 40 bytes long.
Data: < t1 / > F0 74 31 BD 87 01 00 00 80 BC 2F BD 87 01 00 00
{264} normal block at 0x00000187BD316C30, 16 bytes long.
Data: < y1 > 20 79 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000187BD3169B0, 16 bytes long.
Data: < x1 > F8 78 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000187BD30F980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000187BD316910, 16 bytes long.
Data: < x1 > D0 78 31 BD 87 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000187BD3178D0, 992 bytes long.
Data: < i1 0 > 10 69 31 BD 87 01 00 00 80 F9 30 BD 87 01 00 00
{96} normal block at 0x00000187BD310100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000187BD312180, 16 bytes long.
Data: < / > 10 CA 2F BD 87 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000187BD2FCA10, 40 bytes long.
Data: < !1 1 > 80 21 31 BD 87 01 00 00 00 01 31 BD 87 01 00 00
{73} normal block at 0x00000187BD311AF0, 16 bytes long.
Data: < > 80 EA 9B D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000187BD311BE0, 16 bytes long.
Data: <@ > 40 E9 9B D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000187BD3119B0, 16 bytes long.
Data: < W > F8 57 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000187BD311500, 16 bytes long.
Data: < W > D8 57 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000187BD311A00, 16 bytes long.
Data: <P > 50 04 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000187BD311780, 16 bytes long.
Data: <0 > 30 04 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000187BD3116E0, 16 bytes long.
Data: < > E0 02 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000187BD311B90, 16 bytes long.
Data: < > 10 04 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000187BD311730, 16 bytes long.
Data: <p > 70 04 98 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000187BD311690, 16 bytes long.
Data: < > 18 C0 96 D1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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