Task 38685257
| Name | test_461-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1783_0 |
| Workunit | 31626733 |
| Created | 27 Oct 2026, 20:11:49 UTC |
| Sent | 27 Oct 2026, 20:12:01 UTC |
| Report deadline | 1 Nov 2026, 20:12:01 UTC |
| Received | 27 Oct 2026, 20:58:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 44 min 40 sec |
| CPU time | 44 min 40 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 639.93 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
04:14:03 (19096): wrapper (7.9.26016): starting
04:14:03 (19096): 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
04:14:05 (19096): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:14:05 (19096): 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
04:57:42 (19096): C:/Windows/system32/cmd.exe exited; CPU time 2680.171875
04:57:42 (19096): 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: 41160793 bytes.
Dumping objects ->
{3835255} normal block at 0x0000017BA9570DF0, 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 0x0000017BA9570ED0, 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 0x0000017BA95714F0, 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 0x0000017BA9571020, 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 0x0000017BA9570B50, 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 0x0000017BA9681520, 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 0x0000017BA5E584E0, 8 bytes long.
Data: < { > 00 00 89 A7 7B 01 00 00
{3834025} normal block at 0x0000017BA5E58990, 8 bytes long.
Data: < { > 80 EB F2 A5 7B 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000017BA5E56B70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017BA5E51780, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000017BA5E58620, 16 bytes long.
Data: <X} { > 58 7D E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017BA5E57F90, 16 bytes long.
Data: <0} { > 30 7D E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000017BA5E52290, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000017BA5E58080, 16 bytes long.
Data: < } { > 08 7D E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017BA5E58300, 16 bytes long.
Data: < | { > E0 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017BA5E587B0, 16 bytes long.
Data: < | { > B8 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017BA5E58350, 16 bytes long.
Data: < | { > 90 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017BA5E50A30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000017BA5E57EA0, 16 bytes long.
Data: < { > 18 17 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017BA5E52230, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000017BA5E54410, 16 bytes long.
Data: < { > F0 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017BA5E53B50, 16 bytes long.
Data: < { > C8 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017BA5E543C0, 16 bytes long.
Data: < { > A0 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017BA5E53B00, 16 bytes long.
Data: <x { > 78 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017BA5E53F10, 16 bytes long.
Data: <P { > 50 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017BA5E54280, 16 bytes long.
Data: <( { > 28 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017BA5E52530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000017BA5E53AB0, 16 bytes long.
Data: < { > 00 16 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017BA5E51600, 320 bytes long.
Data: < : { 0% { > B0 3A E5 A5 7B 01 00 00 30 25 E5 A5 7B 01 00 00
{268} normal block at 0x0000017BA5E53D80, 16 bytes long.
Data: <p| { > 70 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017BA5E54230, 16 bytes long.
Data: <H| { > 48 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017BA5E52410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000017BA5E54370, 16 bytes long.
Data: < | { > 20 7C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017BA5E51ED0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000017BA5E54460, 16 bytes long.
Data: <h{ { > 68 7B E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017BA5E53E70, 16 bytes long.
Data: <@{ { > 40 7B E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017BA5E53DD0, 16 bytes long.
Data: < { { > 18 7B E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017BA5E542D0, 16 bytes long.
Data: < z { > F0 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017BA5E53D30, 16 bytes long.
Data: < z { > C8 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017BA5E54500, 16 bytes long.
Data: < z { > A0 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000017BA5E541E0, 16 bytes long.
Data: <` { > 60 0C E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000017BA5E50C60, 40 bytes long.
Data: < A { h { > E0 41 E5 A5 7B 01 00 00 20 15 68 A9 7B 01 00 00
{254} normal block at 0x0000017BA5E53A60, 16 bytes long.
Data: < z { > 80 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000017BA5E53CE0, 16 bytes long.
Data: <Xz { > 58 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000017BA5E52050, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000017BA5E54190, 16 bytes long.
Data: <0z { > 30 7A E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000017BA5E57A30, 992 bytes long.
Data: < A { P { > 90 41 E5 A5 7B 01 00 00 50 20 E5 A5 7B 01 00 00
{86} normal block at 0x0000017BA5E51E10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000017BA5E54870, 16 bytes long.
Data: < { > C0 09 E5 A5 7B 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000017BA5E509C0, 40 bytes long.
Data: <pH { { > 70 48 E5 A5 7B 01 00 00 10 1E E5 A5 7B 01 00 00
{61} normal block at 0x0000017BA5E54820, 16 bytes long.
Data: < J > 80 EA 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000017BA5E53EC0, 16 bytes long.
Data: <@ J > 40 E9 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000017BA5E540F0, 16 bytes long.
Data: < W J > F8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000017BA5E545A0, 16 bytes long.
Data: < W J > D8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000017BA5E54640, 16 bytes long.
Data: <P J > 50 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000017BA5E547D0, 16 bytes long.
Data: <0 J > 30 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000017BA5E54780, 16 bytes long.
Data: < J > E0 02 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000017BA5E54550, 16 bytes long.
Data: < J > 10 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000017BA5E54730, 16 bytes long.
Data: <p J > 70 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000017BA5E54050, 16 bytes long.
Data: < J > 18 C0 10 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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