Task 38674833
| Name | test_870-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2021_0 |
| Workunit | 31616842 |
| Created | 26 Oct 2026, 6:27:57 UTC |
| Sent | 26 Oct 2026, 6:28:06 UTC |
| Report deadline | 31 Oct 2026, 6:28:06 UTC |
| Received | 26 Oct 2026, 6:57:55 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654845 |
| Run time | 26 min 2 sec |
| CPU time | 19 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 724.20 MB |
| Peak swap size | 1.67 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:31:40 (3988): wrapper (7.9.26016): starting
08:31:40 (3988): 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
08:31:41 (3988): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:31:41 (3988): 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\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 'D:\ProgramData\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
08:55:48 (3988): C:/Windows/system32/cmd.exe exited; CPU time 1199.406250
08:55:48 (3988): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17717479 bytes.
Dumping objects ->
{3835468} normal block at 0x000001D32031CFE0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x000001D32031C560, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x000001D32031C9C0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835435} normal block at 0x000001D31E83AF40, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x000001D31E83B170, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835393} normal block at 0x000001D320364310, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835382} normal block at 0x000001D31E90CDD0, 160 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) : {3835379} normal block at 0x000001D31E836430, 8 bytes long.
Data: < Ó > 00 00 10 20 D3 01 00 00
{3834658} normal block at 0x000001D31E90C970, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001D31E836C00, 8 bytes long.
Data: < < Ó > 10 07 3C 20 D3 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D31E83F9D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D31E825B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001D31E840CE0, 16 bytes long.
Data: <Ø.„ Ó > D8 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D31E8407E0, 16 bytes long.
Data: <°.„ Ó > B0 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D31E83BE80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001D31E8415A0, 16 bytes long.
Data: < .„ Ó > 88 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D31E840E20, 16 bytes long.
Data: <`.„ Ó > 60 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D31E841500, 16 bytes long.
Data: <8.„ Ó > 38 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D31E840C90, 16 bytes long.
Data: < .„ Ó > 10 2E 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D31E83AD80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001D31E841460, 16 bytes long.
Data: <ÈZ‚ Ó > C8 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D31E83C4E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001D31E840A60, 16 bytes long.
Data: < Z‚ Ó > A0 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D31E841140, 16 bytes long.
Data: <xZ‚ Ó > 78 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D31E840920, 16 bytes long.
Data: <PZ‚ Ó > 50 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D31E840BA0, 16 bytes long.
Data: <(Z‚ Ó > 28 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D31E841230, 16 bytes long.
Data: < Z‚ Ó > 00 5A 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D31E840F60, 16 bytes long.
Data: <ØY‚ Ó > D8 59 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D31E83C9C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001D31E841000, 16 bytes long.
Data: <°Y‚ Ó > B0 59 82 1E D3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D31E8259B0, 320 bytes long.
Data: < „ Ó ÀɃ Ó > 00 10 84 1E D3 01 00 00 C0 C9 83 1E D3 01 00 00
{269} normal block at 0x000001D31E840B00, 16 bytes long.
Data: <ð-„ Ó > F0 2D 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D31E841410, 16 bytes long.
Data: <È-„ Ó > C8 2D 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D31E83BE20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001D31E840F10, 16 bytes long.
Data: < -„ Ó > A0 2D 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D31E83C000, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001D31E841370, 16 bytes long.
Data: <è,„ Ó > E8 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D31E841730, 16 bytes long.
Data: <À,„ Ó > C0 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D31E840A10, 16 bytes long.
Data: < ,„ Ó > 98 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D31E841320, 16 bytes long.
Data: <p,„ Ó > 70 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D31E841550, 16 bytes long.
Data: <H,„ Ó > 48 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D31E840E70, 16 bytes long.
Data: < ,„ Ó > 20 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D31E840B50, 16 bytes long.
Data: <ð­ƒ Ó > F0 AD 83 1E D3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D31E83ADF0, 40 bytes long.
Data: <P „ Ó C6 Ó > 50 0B 84 1E D3 01 00 00 10 43 36 20 D3 01 00 00
{255} normal block at 0x000001D31E8410F0, 16 bytes long.
Data: < ,„ Ó > 00 2C 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001D31E840C40, 16 bytes long.
Data: <Ø+„ Ó > D8 2B 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001D31E83C0C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001D31E841690, 16 bytes long.
Data: <°+„ Ó > B0 2B 84 1E D3 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001D31E842BB0, 992 bytes long.
Data: < „ Ó ÀÀƒ Ó > 90 16 84 1E D3 01 00 00 C0 C0 83 1E D3 01 00 00
{87} normal block at 0x000001D31E83C7E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001D31E8367F0, 16 bytes long.
Data: <Юƒ Ó > D0 AE 83 1E D3 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001D31E83AED0, 40 bytes long.
Data: <ðgƒ Ó àǃ Ó > F0 67 83 1E D3 01 00 00 E0 C7 83 1E D3 01 00 00
{64} normal block at 0x000001D31E835F80, 16 bytes long.
Data: < ê3®÷ > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D31E8361B0, 16 bytes long.
Data: <@é3®÷ > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D31E836390, 16 bytes long.
Data: <øW0®÷ > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D31E836610, 16 bytes long.
Data: <ØW0®÷ > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D31E8360C0, 16 bytes long.
Data: <P 0®÷ > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D31E8363E0, 16 bytes long.
Data: <0 0®÷ > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001D31E836020, 16 bytes long.
Data: <à 0®÷ > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001D31E836340, 16 bytes long.
Data: < 0®÷ > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001D31E835EE0, 16 bytes long.
Data: <p 0®÷ > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001D31E835F30, 16 bytes long.
Data: < À.®÷ > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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