Task 38699983
| Name | test_707-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0380_0 |
| Workunit | 31640323 |
| Created | 6 Nov 2026, 11:57:21 UTC |
| Sent | 6 Nov 2026, 11:57:26 UTC |
| Report deadline | 11 Nov 2026, 11:57:26 UTC |
| Received | 6 Nov 2026, 18:11:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611392 |
| Run time | 1 hours 38 min 16 sec |
| CPU time | 1 hours 28 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 655.56 MB |
| Peak swap size | 2.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:34:38 (11164): wrapper (7.9.26016): starting
17:34:38 (11164): 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
17:34:40 (11164): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:34:40 (11164): 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.
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
19:10:27 (11164): C:/Windows/system32/cmd.exe exited; CPU time 5298.250000
19:10:27 (11164): 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: 69896231 bytes.
Dumping objects ->
{3835193} normal block at 0x000001D9D28EB580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001D9D28EB820, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000001D9D28EBC80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000001D9D0DDD300, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000001D9D0DDD7D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000001D9D2932A60, 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) : {3835105} normal block at 0x000001D9D0DD7440, 8 bytes long.
Data: < {ÒÙ > 00 00 7B D2 D9 01 00 00
{3833963} normal block at 0x000001D9D0DD7120, 8 bytes long.
Data: < IœÒÙ > 90 49 9C D2 D9 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D9D0DE1710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D9D0DE4250, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001D9D0DE2A70, 16 bytes long.
Data: <8>ÞÐÙ > 38 3E DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D9D0DE3650, 16 bytes long.
Data: < >ÞÐÙ > 10 3E DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D9D0DDBD80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001D9D0DE2BB0, 16 bytes long.
Data: <è=ÞÐÙ > E8 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D9D0DE3600, 16 bytes long.
Data: <À=ÞÐÙ > C0 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D9D0DE2AC0, 16 bytes long.
Data: < =ÞÐÙ > 98 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D9D0DE35B0, 16 bytes long.
Data: <p=ÞÐÙ > 70 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D9D0DDD3E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001D9D0DE34C0, 16 bytes long.
Data: <è%ÞÐÙ > E8 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D9D0DDC1A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001D9D0DE36A0, 16 bytes long.
Data: <À%ÞÐÙ > C0 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D9D0DE3470, 16 bytes long.
Data: < %ÞÐÙ > 98 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D9D0DE3420, 16 bytes long.
Data: <p%ÞÐÙ > 70 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D9D0DE3150, 16 bytes long.
Data: <H%ÞÐÙ > 48 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D9D0DE2CF0, 16 bytes long.
Data: < %ÞÐÙ > 20 25 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D9D0DE33D0, 16 bytes long.
Data: <ø$ÞÐÙ > F8 24 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D9D0DDB960, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001D9D0DE30B0, 16 bytes long.
Data: <Ð$ÞÐÙ > D0 24 DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D9D0DE24D0, 320 bytes long.
Data: <°0ÞÐÙ `¹ÝÐÙ > B0 30 DE D0 D9 01 00 00 60 B9 DD D0 D9 01 00 00
{277} normal block at 0x000001D9D0DE2FC0, 16 bytes long.
Data: <P=ÞÐÙ > 50 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D9D0DE27F0, 16 bytes long.
Data: <(=ÞÐÙ > 28 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D9D0DDB9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001D9D0DE3330, 16 bytes long.
Data: < =ÞÐÙ > 00 3D DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D9D0DDC2C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001D9D0DE32E0, 16 bytes long.
Data: <H<ÞÐÙ > 48 3C DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D9D0DE3290, 16 bytes long.
Data: < <ÞÐÙ > 20 3C DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D9D0DE2A20, 16 bytes long.
Data: <ø;ÞÐÙ > F8 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D9D0DE2980, 16 bytes long.
Data: <Ð;ÞÐÙ > D0 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D9D0DE3560, 16 bytes long.
Data: <¨;ÞÐÙ > A8 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D9D0DE3240, 16 bytes long.
Data: < ;ÞÐÙ > 80 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D9D0DE28E0, 16 bytes long.
Data: < ÙÝÐÙ > 90 D9 DD D0 D9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D9D0DDD990, 40 bytes long.
Data: <à(ÞÐÙ `*“ÒÙ > E0 28 DE D0 D9 01 00 00 60 2A 93 D2 D9 01 00 00
{263} normal block at 0x000001D9D0DE3380, 16 bytes long.
Data: <`;ÞÐÙ > 60 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D9D0DE2F20, 16 bytes long.
Data: <8;ÞÐÙ > 38 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D9D0DDBA20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001D9D0DE2C50, 16 bytes long.
Data: < ;ÞÐÙ > 10 3B DE D0 D9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D9D0DE3B10, 992 bytes long.
Data: <P,ÞÐÙ ºÝÐÙ > 50 2C DE D0 D9 01 00 00 20 BA DD D0 D9 01 00 00
{95} normal block at 0x000001D9D0DDC260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001D9D0DD6BD0, 16 bytes long.
Data: <pÓÝÐÙ > 70 D3 DD D0 D9 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001D9D0DDD370, 40 bytes long.
Data: <ÐkÝÐÙ `ÂÝÐÙ > D0 6B DD D0 D9 01 00 00 60 C2 DD D0 D9 01 00 00
{72} normal block at 0x000001D9D0DD6DB0, 16 bytes long.
Data: < êÁ…ö > 80 EA C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D9D0DD7030, 16 bytes long.
Data: <@éÁ…ö > 40 E9 C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D9D0DD7580, 16 bytes long.
Data: <øW¾…ö > F8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D9D0DD6B80, 16 bytes long.
Data: <ØW¾…ö > D8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D9D0DD7260, 16 bytes long.
Data: <P ¾…ö > 50 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D9D0DD6B30, 16 bytes long.
Data: <0 ¾…ö > 30 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D9D0DD6950, 16 bytes long.
Data: <à ¾…ö > E0 02 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D9D0DD6FE0, 16 bytes long.
Data: < ¾…ö > 10 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D9D0DD6D60, 16 bytes long.
Data: <p ¾…ö > 70 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D9D0DD68B0, 16 bytes long.
Data: < À¼…ö > 18 C0 BC 85 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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