Task 38696498
| Name | test_520-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3082_0 |
| Workunit | 31637129 |
| Created | 1 Nov 2026, 0:36:42 UTC |
| Sent | 1 Nov 2026, 0:36:47 UTC |
| Report deadline | 6 Nov 2026, 0:36:47 UTC |
| Received | 1 Nov 2026, 3:37:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655054 |
| Run time | 38 min 17 sec |
| CPU time | 37 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 17,037.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 763.57 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
03:37:31 (23008): wrapper (7.9.26016): starting
03:37:31 (23008): 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
03:37:32 (23008): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:37:32 (23008): 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) : {3835212} normal block at 0x000001E4DBC6F220, 8 bytes long.
Data: < > 00 00 03 DC E4 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833940} normal block at 0x000001E4DD9C3B50, 1080 bytes long.
Data: <(# > 28 23 00 00 CD CD CD CD D4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001E4DBC65540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:38:58 (18128): wrapper (7.9.26016): starting
03:38:58 (18128): 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:\boinc\slots\1\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:\boinc\slots\1\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.
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
04:17:11 (18128): C:/Windows/system32/cmd.exe exited; CPU time 2231.984375
04:17:11 (18128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37038102 bytes.
Dumping objects ->
{1663} normal block at 0x00000178D42C4A30, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1652} normal block at 0x00000178D42BFE80, 32 bytes long.
Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1641} normal block at 0x00000178D42BFCA0, 32 bytes long.
Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F
{1630} normal block at 0x00000178D42BFD00, 32 bytes long.
Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1619} normal block at 0x00000178D42BFE20, 32 bytes long.
Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C
{1588} normal block at 0x00000178D42C4640, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{1577} normal block at 0x00000178D42AEE20, 102 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) : {1574} normal block at 0x00000178D42C5C30, 8 bytes long.
Data: < x > 00 00 9A D4 78 01 00 00
{935} normal block at 0x00000178D42AC080, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{303} normal block at 0x00000178D42C62C0, 8 bytes long.
Data: < e, x > B0 65 2C D4 78 01 00 00
{294} normal block at 0x00000178D42B5ED0, 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 0x00000178D42C5F00, 16 bytes long.
Data: < T, x > A8 54 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000178D42C5820, 16 bytes long.
Data: < T, x > 80 54 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000178D42BF7C0, 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 0x00000178D42C6270, 16 bytes long.
Data: <XT, x > 58 54 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000178D42C5AF0, 16 bytes long.
Data: <0T, x > 30 54 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000178D42C5D70, 16 bytes long.
Data: < T, x > 08 54 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000178D42C5DC0, 16 bytes long.
Data: < S, x > E0 53 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000178D42C4720, 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 0x00000178D42C6310, 16 bytes long.
Data: <x + x > 78 8E 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000178D42C0120, 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 0x00000178D42C5AA0, 16 bytes long.
Data: <P + x > 50 8E 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000178D42C5A00, 16 bytes long.
Data: <( + x > 28 8E 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000178D42C59B0, 16 bytes long.
Data: < + x > 00 8E 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000178D42C6450, 16 bytes long.
Data: < + x > D8 8D 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000178D42C5A50, 16 bytes long.
Data: < + x > B0 8D 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000178D42C5E60, 16 bytes long.
Data: < + x > 88 8D 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000178D42BFC40, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{275} normal block at 0x00000178D42C6360, 16 bytes long.
Data: <` + x > 60 8D 2B D4 78 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000178D42B8D60, 320 bytes long.
Data: <`c, x @ + x > 60 63 2C D4 78 01 00 00 40 FC 2B D4 78 01 00 00
{273} normal block at 0x00000178D42C5BE0, 16 bytes long.
Data: < S, x > C0 53 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000178D42C57D0, 16 bytes long.
Data: < S, x > 98 53 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000178D42C0060, 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 0x00000178D42C6220, 16 bytes long.
Data: <pS, x > 70 53 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000178D42BFDC0, 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 0x00000178D42C5960, 16 bytes long.
Data: < R, x > B8 52 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000178D42C5EB0, 16 bytes long.
Data: < R, x > 90 52 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000178D42C5780, 16 bytes long.
Data: <hR, x > 68 52 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000178D42C5910, 16 bytes long.
Data: <@R, x > 40 52 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000178D42C61D0, 16 bytes long.
Data: < R, x > 18 52 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000178D42BED50, 16 bytes long.
Data: < Q, x > F0 51 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000178D42BECB0, 16 bytes long.
Data: < F, x > B0 46 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000178D42C46B0, 40 bytes long.
Data: < + x @F, x > B0 EC 2B D4 78 01 00 00 40 46 2C D4 78 01 00 00
{259} normal block at 0x00000178D42BEC10, 16 bytes long.
Data: < Q, x > D0 51 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000178D42BE440, 16 bytes long.
Data: < Q, x > A8 51 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000178D42BF580, 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 0x00000178D42BEBC0, 16 bytes long.
Data: < Q, x > 80 51 2C D4 78 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000178D42C5180, 992 bytes long.
Data: < + x + x > C0 EB 2B D4 78 01 00 00 80 F5 2B D4 78 01 00 00
{91} normal block at 0x00000178D42BF400, 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 0x00000178D42BEA80, 16 bytes long.
Data: < * x > B0 ED 2A D4 78 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000178D42AEDB0, 40 bytes long.
Data: < + x + x > 80 EA 2B D4 78 01 00 00 00 F4 2B D4 78 01 00 00
{68} normal block at 0x00000178D42BF110, 16 bytes long.
Data: < 6 > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000178D42BEEE0, 16 bytes long.
Data: <@ 6 > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000178D42BF0C0, 16 bytes long.
Data: < W 6 > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000178D42BE800, 16 bytes long.
Data: < W 6 > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000178D42BF070, 16 bytes long.
Data: <P 6 > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000178D42BEE90, 16 bytes long.
Data: <0 6 > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000178D42BE4E0, 16 bytes long.
Data: < 6 > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000178D42BEB20, 16 bytes long.
Data: < 6 > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000178D42BEA30, 16 bytes long.
Data: <p 6 > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000178D42BE490, 16 bytes long.
Data: < 6 > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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