Task 38666724
| Name | test_661-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9669_2 |
| Workunit | 31609205 |
| Created | 25 Oct 2026, 4:30:09 UTC |
| Sent | 25 Oct 2026, 4:41:37 UTC |
| Report deadline | 30 Oct 2026, 4:41:37 UTC |
| Received | 25 Oct 2026, 6:08:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652183 |
| Run time | 24 min 11 sec |
| CPU time | 20 min 22 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,325.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.66 MB |
| Peak swap size | 11.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:45:13 (24284): wrapper (7.9.26016): starting
23:45:13 (24284): 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
23:45:14 (24284): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:14 (24284): 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\14\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\14\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
00:08:36 (24284): C:/Windows/system32/cmd.exe exited; CPU time 1222.015625
00:08:36 (24284): 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: 28258771 bytes.
Dumping objects ->
{3835255} normal block at 0x000001B4F5208280, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000001B4F5208750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001B4F5208210, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x000001B4F52080C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000001B4F52086E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x000001B4F6F7BA90, 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) : {3835167} normal block at 0x000001B4F51FF9C0, 8 bytes long.
Data: < †õ´ > 00 00 86 F5 B4 01 00 00
{3833957} normal block at 0x000001B4F51FF7E0, 8 bytes long.
Data: <ðs ÷´ > F0 73 00 F7 B4 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B4F51FC430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B4F51F4E00, 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 0x000001B4F52092C0, 16 bytes long.
Data: <¸Ÿ õ´ > B8 9F 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B4F52095E0, 16 bytes long.
Data: < Ÿ õ´ > 90 9F 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B4F5204300, 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 0x000001B4F5209220, 16 bytes long.
Data: <hŸ õ´ > 68 9F 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B4F5209090, 16 bytes long.
Data: <@Ÿ õ´ > 40 9F 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B4F5209C20, 16 bytes long.
Data: < Ÿ õ´ > 18 9F 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B4F5209040, 16 bytes long.
Data: <ðž õ´ > F0 9E 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B4F52082F0, 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 0x000001B4F5209810, 16 bytes long.
Data: < 3 õ´ > 98 33 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B4F5204D80, 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 0x000001B4F5209720, 16 bytes long.
Data: <p3 õ´ > 70 33 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B4F5209A40, 16 bytes long.
Data: <H3 õ´ > 48 33 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4F5209BD0, 16 bytes long.
Data: < 3 õ´ > 20 33 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B4F5209540, 16 bytes long.
Data: <ø2 õ´ > F8 32 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B4F5209A90, 16 bytes long.
Data: <Ð2 õ´ > D0 32 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B4F52099F0, 16 bytes long.
Data: <¨2 õ´ > A8 32 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B4F52042A0, 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 0x000001B4F5208F00, 16 bytes long.
Data: < 2 õ´ > 80 32 1F F5 B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4F51F3280, 320 bytes long.
Data: < õ´  B õ´ > 00 8F 20 F5 B4 01 00 00 A0 42 20 F5 B4 01 00 00
{274} normal block at 0x000001B4F5208D20, 16 bytes long.
Data: <О õ´ > D0 9E 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4F5208CD0, 16 bytes long.
Data: <¨ž õ´ > A8 9E 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B4F5204F00, 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 0x000001B4F5209590, 16 bytes long.
Data: < ž õ´ > 80 9E 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B4F5204240, 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 0x000001B4F5209950, 16 bytes long.
Data: <È õ´ > C8 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B4F5209450, 16 bytes long.
Data: <  õ´ > A0 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B4F5208FF0, 16 bytes long.
Data: <x õ´ > 78 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B4F52091D0, 16 bytes long.
Data: <P õ´ > 50 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B4F5209400, 16 bytes long.
Data: <( õ´ > 28 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B4F5209180, 16 bytes long.
Data: < õ´ > 00 9D 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B4F5209AE0, 16 bytes long.
Data: <0 õ´ > 30 81 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B4F5208130, 40 bytes long.
Data: <àš õ´ º÷ö´ > E0 9A 20 F5 B4 01 00 00 90 BA F7 F6 B4 01 00 00
{260} normal block at 0x000001B4F52094F0, 16 bytes long.
Data: <àœ õ´ > E0 9C 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B4F5208FA0, 16 bytes long.
Data: <¸œ õ´ > B8 9C 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B4F5204720, 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 0x000001B4F5208EB0, 16 bytes long.
Data: < œ õ´ > 90 9C 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B4F5209C90, 992 bytes long.
Data: <°Ž õ´ G õ´ > B0 8E 20 F5 B4 01 00 00 20 47 20 F5 B4 01 00 00
{92} normal block at 0x000001B4F5204A20, 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 0x000001B4F51FEDE0, 16 bytes long.
Data: <p† õ´ > 70 86 20 F5 B4 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001B4F5208670, 40 bytes long.
Data: <àí õ´ J õ´ > E0 ED 1F F5 B4 01 00 00 20 4A 20 F5 B4 01 00 00
{69} normal block at 0x000001B4F51FF380, 16 bytes long.
Data: < ê k÷ > 80 EA 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B4F51FEFC0, 16 bytes long.
Data: <@é k÷ > 40 E9 88 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B4F51FEED0, 16 bytes long.
Data: <øW…k÷ > F8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B4F51FFB50, 16 bytes long.
Data: <ØW…k÷ > D8 57 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B4F51FF240, 16 bytes long.
Data: <P …k÷ > 50 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B4F51FEF70, 16 bytes long.
Data: <0 …k÷ > 30 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B4F51FF150, 16 bytes long.
Data: <à …k÷ > E0 02 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B4F51FEE30, 16 bytes long.
Data: < …k÷ > 10 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B4F51FF1A0, 16 bytes long.
Data: <p …k÷ > 70 04 85 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B4F51FF330, 16 bytes long.
Data: < Àƒk÷ > 18 C0 83 6B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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