Task 38695135
| Name | test_96-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9565_0 |
| Workunit | 31635850 |
| Created | 31 Oct 2026, 6:59:54 UTC |
| Sent | 31 Oct 2026, 7:00:00 UTC |
| Report deadline | 5 Nov 2026, 7:00:00 UTC |
| Received | 2 Nov 2026, 23:11:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653381 |
| Run time | 34 min 38 sec |
| CPU time | 33 min 43 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 | 647.81 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:21:29 (17340): wrapper (7.9.26016): starting
10:21:29 (17340): 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 (17340): Library/usr/bin/tar.exe exited; CPU time 0.125000
10:21:45 (17340): 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\3\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\3\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 0x000002BB37AE80F0, 8 bytes long.
Data: < ;9 > 00 00 3B 39 BB 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833966} normal block at 0x000002BB396D4A10, 1080 bytes long.
Data: < h > CC 68 00 00 CD CD CD CD 10 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002BB37AF2750, 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 (22692): wrapper (7.9.26016): starting
10:50:06 (22692): 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\3\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 0x000001DA5A714D00, 8 bytes long.
Data: < mZ > 00 00 6D 5A DA 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001DA5A715640, 1080 bytes long.
Data: <X{ , > 58 7B 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
11:00:48 (444): wrapper (7.9.26016): starting
11:00:48 (444): 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\3\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 0x000001D34C9542D0, 8 bytes long.
Data: < L > 00 00 92 4C D3 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D34C955300, 1080 bytes long.
Data: < B T > 94 42 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
Object dump complete.
12:00:39 (26620): wrapper (7.9.26016): starting
12:00:39 (26620): 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\3\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 0x000001E7B5B03410, 8 bytes long.
Data: < > 00 00 A7 B5 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001E7B5B04D50, 1080 bytes long.
Data: < H > EC 0C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
12:52:55 (24908): wrapper (7.9.26016): starting
12:52:55 (24908): 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\3\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 0x000001885A254210, 8 bytes long.
Data: < !Z > 00 00 21 5A 88 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001885A255290, 1080 bytes long.
Data: <dU D > 64 55 00 00 CD CD CD CD 44 00 00 00 00 00 00 00
Object dump complete.
13:05:00 (31644): wrapper (7.9.26016): starting
13:05:00 (31644): 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\3\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 0x0000022ED8DC45A0, 8 bytes long.
Data: < . > 00 00 D9 D8 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x0000022ED8DC5030, 1080 bytes long.
Data: <4g P > 34 67 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
13:38:43 (16464): wrapper (7.9.26016): starting
13:38:43 (16464): 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\3\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 0x000001D60D503CC0, 8 bytes long.
Data: < > 00 00 E0 0E D6 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001D60D505060, 1080 bytes long.
Data: < | H > AC 7C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:56:43 (19964): wrapper (7.9.26016): starting
13:56:43 (19964): 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\3\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 0x000001C4AD9D3970, 8 bytes long.
Data: < > 00 00 98 AD C4 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x000001C4AD9D5260, 1080 bytes long.
Data: < } P > AC 7D 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
15:07:48 (27112): wrapper (7.9.26016): starting
15:07:48 (27112): 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\3\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 0x00000172C64C45F0, 8 bytes long.
Data: < r > 00 00 E5 C7 72 01 00 00
..\lib\diagnostics_win.cpp(417) : {308} normal block at 0x00000172C64C5260, 1080 bytes long.
Data: < x d > EC 78 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
15:58:39 (39080): wrapper (7.9.26016): starting
15:58:39 (39080): 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\3\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
10:11:17 (39080): C:/Windows/system32/cmd.exe exited; CPU time 128.875000
10:11:17 (39080): 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: 1050063504 bytes.
Dumping objects ->
{1644} normal block at 0x0000024F81CFEE10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1633} normal block at 0x0000024F81CFEBE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1622} normal block at 0x0000024F81CFE860, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1611} normal block at 0x0000024F81CFEC50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1600} normal block at 0x0000024F81CFE940, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1569} normal block at 0x0000024F81CE9D00, 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 0x0000024F81D03E90, 8 bytes long.
Data: < O > 00 00 CD 81 4F 02 00 00
{309} normal block at 0x0000024F81D03DF0, 8 bytes long.
Data: < K O > D0 4B D0 81 4F 02 00 00
{300} normal block at 0x0000024F81CE6A10, 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 0x0000024F81D03FD0, 16 bytes long.
Data: < J O > D8 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024F81D03A30, 16 bytes long.
Data: < J O > B0 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024F81CFCBC0, 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 0x0000024F81D03800, 16 bytes long.
Data: < J O > 88 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024F81D037B0, 16 bytes long.
Data: <`J O > 60 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024F81D03F80, 16 bytes long.
Data: <8J O > 38 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024F81D03760, 16 bytes long.
Data: < J O > 10 4A D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024F81CFECC0, 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 0x0000024F81D03F30, 16 bytes long.
Data: < i O > A8 69 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024F81CFC2C0, 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 0x0000024F81D03EE0, 16 bytes long.
Data: < i O > 80 69 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024F81D035D0, 16 bytes long.
Data: <Xi O > 58 69 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024F81D04340, 16 bytes long.
Data: <0i O > 30 69 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024F81D042F0, 16 bytes long.
Data: < i O > 08 69 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024F81D03710, 16 bytes long.
Data: < h O > E0 68 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024F81D03CB0, 16 bytes long.
Data: < h O > B8 68 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024F81CFC260, 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 0x0000024F81D039E0, 16 bytes long.
Data: < h O > 90 68 CE 81 4F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024F81CE6890, 320 bytes long.
Data: < 9 O ` O > E0 39 D0 81 4F 02 00 00 60 C2 CF 81 4F 02 00 00
{279} normal block at 0x0000024F81D03990, 16 bytes long.
Data: < I O > F0 49 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024F81D03670, 16 bytes long.
Data: < I O > C8 49 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024F81CFCD40, 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 0x0000024F81D042A0, 16 bytes long.
Data: < I O > A0 49 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024F81CFCA40, 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 0x0000024F81D03620, 16 bytes long.
Data: < H O > E8 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024F81D03BC0, 16 bytes long.
Data: < H O > C0 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024F81D033F0, 16 bytes long.
Data: < H O > 98 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024F81D03B70, 16 bytes long.
Data: <pH O > 70 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024F81D04200, 16 bytes long.
Data: <HH O > 48 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024F81D03940, 16 bytes long.
Data: < H O > 20 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024F81D03E40, 16 bytes long.
Data: < O > B0 E9 CF 81 4F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024F81CFE9B0, 40 bytes long.
Data: <@> O O > 40 3E D0 81 4F 02 00 00 00 9D CE 81 4F 02 00 00
{265} normal block at 0x0000024F81D03DA0, 16 bytes long.
Data: < H O > 00 48 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024F81D03AD0, 16 bytes long.
Data: < G O > D8 47 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024F81CFC7A0, 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 0x0000024F81D03580, 16 bytes long.
Data: < G O > B0 47 D0 81 4F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024F81D047B0, 992 bytes long.
Data: < 5 O O > 80 35 D0 81 4F 02 00 00 A0 C7 CF 81 4F 02 00 00
{97} normal block at 0x0000024F81CFCC80, 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 0x0000024F81CF7510, 16 bytes long.
Data: <p O > 70 EB CF 81 4F 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000024F81CFEB70, 40 bytes long.
Data: < u O O > 10 75 CF 81 4F 02 00 00 80 CC CF 81 4F 02 00 00
{74} normal block at 0x0000024F81CF7420, 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 0x0000024F81CF7C90, 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 0x0000024F81CF7C40, 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 0x0000024F81CF8000, 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 0x0000024F81CF7E70, 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 0x0000024F81CF7600, 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 0x0000024F81CF7BA0, 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 0x0000024F81CF74C0, 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 0x0000024F81CF7F10, 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 0x0000024F81CF7A60, 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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