Task 38699309
| Name | test_407-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND4434_0 |
| Workunit | 31639720 |
| Created | 4 Nov 2026, 0:18:50 UTC |
| Sent | 4 Nov 2026, 0:18:53 UTC |
| Report deadline | 9 Nov 2026, 0:18:53 UTC |
| Received | 4 Nov 2026, 11:16:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648980 |
| Run time | 14 min 34 sec |
| CPU time | 13 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 115,549.23 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.67 MB |
| Peak swap size | 7.22 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:45:18 (43804): wrapper (7.9.26016): starting
19:45:18 (43804): 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
19:45:19 (43804): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:45:19 (43804): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835495} normal block at 0x00000176122FEAF0, 8 bytes long.
Data: < g v > 00 00 67 12 76 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833964} normal block at 0x00000176122EE3B0, 1080 bytes long.
Data: < T > A0 54 00 00 CD CD CD CD EC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000017612302540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:48:30 (20260): wrapper (7.9.26016): starting
05:48:30 (20260): 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 'D:\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 'D:\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) : {1838} normal block at 0x0000029A42667D30, 8 bytes long.
Data: < B > 00 00 BC 42 9A 02 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x0000029A42668DA0, 1080 bytes long.
Data: < ) , > 18 29 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
05:55:44 (26312): wrapper (7.9.26016): starting
05:55:44 (26312): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\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
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1838} normal block at 0x000001ECB3C67700, 8 bytes long.
Data: < > 00 00 02 B4 EC 01 00 00
..\lib\diagnostics_win.cpp(417) : {307} normal block at 0x000001ECB3C67F00, 1080 bytes long.
Data: < H > 9C 10 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
06:14:32 (17520): wrapper (7.9.26016): starting
06:14:32 (17520): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\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
06:15:36 (17520): C:/Windows/system32/cmd.exe exited; CPU time 49.140625
06:15:36 (17520): 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: 1491440 bytes.
Dumping objects ->
{1926} normal block at 0x00000139C40D6200, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1915} normal block at 0x00000139C40D6190, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1904} normal block at 0x00000139C40D6120, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1893} normal block at 0x00000139C40D5E10, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1882} normal block at 0x00000139C40D5C50, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1851} normal block at 0x00000139C40BC1C0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1838} normal block at 0x00000139C40D7060, 8 bytes long.
Data: < L 9 > 00 00 4C C4 39 01 00 00
{308} normal block at 0x00000139C40D6FC0, 8 bytes long.
Data: < } 9 > 10 7D 0D C4 39 01 00 00
{299} normal block at 0x00000139C40BF270, 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 0x00000139C40D6F70, 16 bytes long.
Data: < | 9 > 18 7C 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000139C40D70B0, 16 bytes long.
Data: < { 9 > F0 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000139C40D1EB0, 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 0x00000139C40D7790, 16 bytes long.
Data: < { 9 > C8 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000139C40D6AC0, 16 bytes long.
Data: < { 9 > A0 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000139C40D6E30, 16 bytes long.
Data: <x{ 9 > 78 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000139C40D7740, 16 bytes long.
Data: <P{ 9 > 50 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000139C40D6040, 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 0x00000139C40D6C50, 16 bytes long.
Data: < 9 > F8 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000139C40D0FB0, 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 0x00000139C40D7330, 16 bytes long.
Data: < 9 > D0 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000139C40D7240, 16 bytes long.
Data: < 9 > A8 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000139C40D72E0, 16 bytes long.
Data: < 9 > 80 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000139C40D6F20, 16 bytes long.
Data: <X 9 > 58 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000139C40D6DE0, 16 bytes long.
Data: <0 9 > 30 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000139C40D6BB0, 16 bytes long.
Data: < 9 > 08 9D 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000139C40D1970, 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 0x00000139C40D6A20, 16 bytes long.
Data: < 9 > E0 9C 0C C4 39 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000139C40C9CE0, 320 bytes long.
Data: < j 9 p 9 > 20 6A 0D C4 39 01 00 00 70 19 0D C4 39 01 00 00
{278} normal block at 0x00000139C40D6CA0, 16 bytes long.
Data: <0{ 9 > 30 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000139C40D6C00, 16 bytes long.
Data: < { 9 > 08 7B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000139C40D1250, 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 0x00000139C40D7010, 16 bytes long.
Data: < z 9 > E0 7A 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000139C40D1550, 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 0x00000139C40D74C0, 16 bytes long.
Data: <(z 9 > 28 7A 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000139C40D6980, 16 bytes long.
Data: < z 9 > 00 7A 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000139C40D6D40, 16 bytes long.
Data: < y 9 > D8 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000139C40D6ED0, 16 bytes long.
Data: < y 9 > B0 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000139C40D76A0, 16 bytes long.
Data: < y 9 > 88 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000139C40D76F0, 16 bytes long.
Data: <`y 9 > 60 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000139C40D6930, 16 bytes long.
Data: < [ 9 > E0 5B 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000139C40D5BE0, 40 bytes long.
Data: <0i 9 9 > 30 69 0D C4 39 01 00 00 C0 C1 0B C4 39 01 00 00
{264} normal block at 0x00000139C40D6E80, 16 bytes long.
Data: <@y 9 > 40 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000139C40D69D0, 16 bytes long.
Data: < y 9 > 18 79 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000139C40D1910, 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 0x00000139C40D6A70, 16 bytes long.
Data: < x 9 > F0 78 0D C4 39 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000139C40D78F0, 992 bytes long.
Data: <pj 9 9 > 70 6A 0D C4 39 01 00 00 10 19 0D C4 39 01 00 00
{96} normal block at 0x00000139C40D1310, 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 0x00000139C40CDFF0, 16 bytes long.
Data: <0 9 > 30 D3 0B C4 39 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000139C40BD330, 40 bytes long.
Data: < 9 9 > F0 DF 0C C4 39 01 00 00 10 13 0D C4 39 01 00 00
{73} normal block at 0x00000139C40CE4A0, 16 bytes long.
Data: < > 80 EA 9D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000139C40CEDB0, 16 bytes long.
Data: <@ > 40 E9 9D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000139C40CE630, 16 bytes long.
Data: < W > F8 57 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000139C40CE9F0, 16 bytes long.
Data: < W > D8 57 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000139C40CECC0, 16 bytes long.
Data: <P > 50 04 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000139C40CE270, 16 bytes long.
Data: <0 > 30 04 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000139C40CEEA0, 16 bytes long.
Data: < > E0 02 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000139C40CED60, 16 bytes long.
Data: < > 10 04 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000139C40CE090, 16 bytes long.
Data: <p > 70 04 9A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000139C40CE860, 16 bytes long.
Data: < > 18 C0 98 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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