Task 38663929
| Name | test_956-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5900_0 |
| Workunit | 31607116 |
| Created | 24 Oct 2026, 22:56:50 UTC |
| Sent | 24 Oct 2026, 22:56:58 UTC |
| Report deadline | 29 Oct 2026, 22:56:58 UTC |
| Received | 25 Oct 2026, 5:59:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 37 min 50 sec |
| CPU time | 33 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.54 MB |
| Peak swap size | 2.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:56:56 (10008): wrapper (7.9.26016): starting
20:56:56 (10008): 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
20:56:58 (10008): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:56:58 (10008): 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.
21:41:08 (5192): wrapper (7.9.26016): starting
21:41:08 (5192): 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) : {1505} normal block at 0x0000023F71184970, 8 bytes long.
Data: < Zq? > 00 00 5A 71 3F 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x0000023F711840C0, 1080 bytes long.
Data: <L8 D > 4C 38 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
22:41:06 (9472): wrapper (7.9.26016): starting
22:41:06 (9472): 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
22:58:47 (9472): C:/Windows/system32/cmd.exe exited; CPU time 966.734375
22:58:47 (9472): 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: 16063170 bytes.
Dumping objects ->
{1594} normal block at 0x00000258A7A06210, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x00000258A7A05E90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x00000258A7A05E20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1561} normal block at 0x00000258A7A05DB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x00000258A7A05D40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1519} normal block at 0x00000258A79EC1A0, 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) : {1505} normal block at 0x00000258A7A04C20, 8 bytes long.
Data: < X > 00 00 EB A7 58 02 00 00
{303} normal block at 0x00000258A7A04630, 8 bytes long.
Data: < d X > 90 64 A0 A7 58 02 00 00
{294} normal block at 0x00000258A79F5C30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000258A7A04A40, 16 bytes long.
Data: < [ X > 88 5B A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000258A7A044A0, 16 bytes long.
Data: <`[ X > 60 5B A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000258A79FFDE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000258A7A05300, 16 bytes long.
Data: <8[ X > 38 5B A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000258A7A04FE0, 16 bytes long.
Data: < [ X > 10 5B A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000258A7A04E50, 16 bytes long.
Data: < Z X > E8 5A A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000258A7A044F0, 16 bytes long.
Data: < Z X > C0 5A A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000258A7A05F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000258A7A049F0, 16 bytes long.
Data: <X@ X > 58 40 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000258A79FF3C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000258A7A04B30, 16 bytes long.
Data: <0@ X > 30 40 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000258A7A04810, 16 bytes long.
Data: < @ X > 08 40 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000258A7A053F0, 16 bytes long.
Data: < ? X > E0 3F A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000258A7A04F90, 16 bytes long.
Data: < ? X > B8 3F A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000258A7A04860, 16 bytes long.
Data: < ? X > 90 3F A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000258A7A04720, 16 bytes long.
Data: <h? X > 68 3F A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000258A79FF600, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000258A7A050D0, 16 bytes long.
Data: <@? X > 40 3F A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000258A7A03F40, 320 bytes long.
Data: < P X X > D0 50 A0 A7 58 02 00 00 00 F6 9F A7 58 02 00 00
{273} normal block at 0x00000258A7A04EA0, 16 bytes long.
Data: < Z X > A0 5A A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000258A7A04D10, 16 bytes long.
Data: <xZ X > 78 5A A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000258A79FF5A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000258A7A04F40, 16 bytes long.
Data: <PZ X > 50 5A A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000258A79FFB40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000258A7A05350, 16 bytes long.
Data: < Y X > 98 59 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000258A7A049A0, 16 bytes long.
Data: <pY X > 70 59 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000258A7A04E00, 16 bytes long.
Data: <HY X > 48 59 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000258A7A04EF0, 16 bytes long.
Data: < Y X > 20 59 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000258A7A04BD0, 16 bytes long.
Data: < X X > F8 58 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000258A7A053A0, 16 bytes long.
Data: < X X > D0 58 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000258A7A05170, 16 bytes long.
Data: <0 X > 30 C1 9E A7 58 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000258A79EC130, 40 bytes long.
Data: <pQ X X > 70 51 A0 A7 58 02 00 00 A0 C1 9E A7 58 02 00 00
{259} normal block at 0x00000258A7A047C0, 16 bytes long.
Data: < X X > B0 58 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000258A7A05210, 16 bytes long.
Data: < X X > 88 58 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000258A79FF7E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000258A7A052B0, 16 bytes long.
Data: <`X X > 60 58 A0 A7 58 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000258A7A05860, 992 bytes long.
Data: < R X X > B0 52 A0 A7 58 02 00 00 E0 F7 9F A7 58 02 00 00
{91} normal block at 0x00000258A79FFAE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000258A79FEAA0, 16 bytes long.
Data: < X > E0 DE 9F A7 58 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000258A79FDEE0, 40 bytes long.
Data: < X X > A0 EA 9F A7 58 02 00 00 E0 FA 9F A7 58 02 00 00
{68} normal block at 0x00000258A79FECD0, 16 bytes long.
Data: < r > 80 EA 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000258A79FE190, 16 bytes long.
Data: <@ r > 40 E9 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000258A79FE370, 16 bytes long.
Data: < W r > F8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000258A79FE6E0, 16 bytes long.
Data: < W r > D8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000258A79FEE60, 16 bytes long.
Data: <P r > 50 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000258A79FE0F0, 16 bytes long.
Data: <0 r > 30 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000258A79FE140, 16 bytes long.
Data: < r > E0 02 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000258A79FEEB0, 16 bytes long.
Data: < r > 10 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000258A79FEE10, 16 bytes long.
Data: <p r > 70 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000258A79FEF00, 16 bytes long.
Data: < r > 18 C0 8E 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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