Task 38653405
| Name | test_982-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND6536_0 |
| Workunit | 31597369 |
| Created | 24 Oct 2026, 5:32:50 UTC |
| Sent | 24 Oct 2026, 5:41:32 UTC |
| Report deadline | 29 Oct 2026, 5:41:32 UTC |
| Received | 24 Oct 2026, 11:23:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653984 |
| Run time | 1 hours 18 min 52 sec |
| CPU time | 1 hours 14 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 3,792.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 845.90 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:26:00 (14744): wrapper (7.9.26016): starting
11:26:00 (14744): 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
11:26:02 (14744): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:26:02 (14744): 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\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 'D:\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) : {3835371} normal block at 0x000001851A41FD90, 8 bytes long.
Data: < > 00 00 03 1C 85 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001851C1F3000, 1080 bytes long.
Data: < ? p > FC 3F 00 00 CD CD CD CD 70 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001851A420C10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
12:34:58 (11752): wrapper (7.9.26016): starting
12:34:58 (11752): 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\3\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1718} normal block at 0x0000020558F666C0, 8 bytes long.
Data: < X > 00 00 EE 58 05 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020558F667D0, 1080 bytes long.
Data: <`4 P > 60 34 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
16:07:43 (14688): wrapper (7.9.26016): starting
16:07:43 (14688): 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\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
16:20:40 (14688): C:/Windows/system32/cmd.exe exited; CPU time 728.546875
16:20:40 (14688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 bytes in 8 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: 9660968 bytes.
Dumping objects ->
{1807} normal block at 0x00000273BE2740B0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1796} normal block at 0x00000273BE274660, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x00000273BE2745F0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1774} normal block at 0x00000273BE2743C0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1763} normal block at 0x00000273BE274580, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1732} normal block at 0x00000273BE25DBD0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1721} normal block at 0x00000273BE25D370, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1718} normal block at 0x00000273BE2759E0, 8 bytes long.
Data: < m s > 00 00 6D BE 73 02 00 00
{1000} normal block at 0x00000273BE25B610, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x00000273BE2760C0, 8 bytes long.
Data: < c' s > 10 63 27 BE 73 02 00 00
{295} normal block at 0x00000273BE2665C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000273BE275E90, 16 bytes long.
Data: < R' s > 08 52 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000273BE2756C0, 16 bytes long.
Data: < Q' s > E0 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000273BE26E760, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000273BE275620, 16 bytes long.
Data: < Q' s > B8 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000273BE2758A0, 16 bytes long.
Data: < Q' s > 90 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000273BE276250, 16 bytes long.
Data: <hQ' s > 68 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000273BE275F30, 16 bytes long.
Data: <@Q' s > 40 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000273BE274510, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000273BE275800, 16 bytes long.
Data: < % s > A8 B5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000273BE26E340, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000273BE275E40, 16 bytes long.
Data: < % s > 80 B5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000273BE275350, 16 bytes long.
Data: <X % s > 58 B5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000273BE275760, 16 bytes long.
Data: <0 % s > 30 B5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000273BE275CB0, 16 bytes long.
Data: < % s > 08 B5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000273BE275B20, 16 bytes long.
Data: < % s > E0 B4 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000273BE276070, 16 bytes long.
Data: < % s > B8 B4 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000273BE26EE20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000273BE276110, 16 bytes long.
Data: < % s > 90 B4 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000273BE25B490, 320 bytes long.
Data: < a' s & s > 10 61 27 BE 73 02 00 00 20 EE 26 BE 73 02 00 00
{274} normal block at 0x00000273BE275F80, 16 bytes long.
Data: < Q' s > 20 51 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000273BE275EE0, 16 bytes long.
Data: < P' s > F8 50 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000273BE26EC40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000273BE275DF0, 16 bytes long.
Data: < P' s > D0 50 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000273BE26E280, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000273BE275530, 16 bytes long.
Data: < P' s > 18 50 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000273BE276020, 16 bytes long.
Data: < O' s > F0 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000273BE275AD0, 16 bytes long.
Data: < O' s > C8 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000273BE275990, 16 bytes long.
Data: < O' s > A0 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000273BE275FD0, 16 bytes long.
Data: <xO' s > 78 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000273BE26F430, 16 bytes long.
Data: <PO' s > 50 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000273BE26F340, 16 bytes long.
Data: < A' s > 20 41 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000273BE274120, 40 bytes long.
Data: <@ & s % s > 40 F3 26 BE 73 02 00 00 D0 DB 25 BE 73 02 00 00
{260} normal block at 0x00000273BE26F2F0, 16 bytes long.
Data: <0O' s > 30 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000273BE26F250, 16 bytes long.
Data: < O' s > 08 4F 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000273BE26ED60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000273BE26FD40, 16 bytes long.
Data: < N' s > E0 4E 27 BE 73 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000273BE274EE0, 992 bytes long.
Data: <@ & s ` & s > 40 FD 26 BE 73 02 00 00 60 ED 26 BE 73 02 00 00
{92} normal block at 0x00000273BE26E1C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000273BE26FB60, 16 bytes long.
Data: < % s > 90 E5 25 BE 73 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000273BE25E590, 40 bytes long.
Data: <` & s & s > 60 FB 26 BE 73 02 00 00 C0 E1 26 BE 73 02 00 00
{69} normal block at 0x00000273BE26F5C0, 16 bytes long.
Data: < i > 80 EA E9 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000273BE26F700, 16 bytes long.
Data: <@ i > 40 E9 E9 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000273BE26FDE0, 16 bytes long.
Data: < W i > F8 57 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000273BE26FB10, 16 bytes long.
Data: < W i > D8 57 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000273BE26F520, 16 bytes long.
Data: <P i > 50 04 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000273BE26F3E0, 16 bytes long.
Data: <0 i > 30 04 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000273BE26F6B0, 16 bytes long.
Data: < i > E0 02 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000273BE26F2A0, 16 bytes long.
Data: < i > 10 04 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000273BE26F4D0, 16 bytes long.
Data: <p i > 70 04 E6 69 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000273BE26F9D0, 16 bytes long.
Data: < i > 18 C0 E4 69 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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