Task 38699143
| Name | test_710-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1983_0 |
| Workunit | 31639574 |
| Created | 3 Nov 2026, 16:16:53 UTC |
| Sent | 3 Nov 2026, 16:16:59 UTC |
| Report deadline | 8 Nov 2026, 16:16:59 UTC |
| Received | 4 Nov 2026, 7:56:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 655011 |
| Run time | 1 hours 14 min 58 sec |
| CPU time | 1 hours 7 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 7,990.82 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 653.23 MB |
| Peak swap size | 2.31 GB |
| Peak disk usage | 3.66 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:36:13 (11636): wrapper (7.9.26016): starting
20:36:13 (11636): 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
20:36:16 (11636): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:36:16 (11636): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835089} normal block at 0x000002676D5F7580, 8 bytes long.
Data: < Ymg > 00 00 59 6D 67 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002676D6DD440, 1080 bytes long.
Data: <8, 0 > 38 2C 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002676D6015B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:59:31 (9740): wrapper (7.9.26016): starting
07:59:31 (9740): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\0\tmp already exists.
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
08:55:13 (9740): C:/Windows/system32/cmd.exe exited; CPU time 3150.390625
08:55:13 (9740): 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: 38339088 bytes.
Dumping objects ->
{1530} normal block at 0x000001BA126606F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x000001BA12660610, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1508} normal block at 0x000001BA1265FFF0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1497} normal block at 0x000001BA12660680, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1486} normal block at 0x000001BA12660530, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1455} normal block at 0x000001BA1265BB10, 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) : {1442} normal block at 0x000001BA126626F0, 8 bytes long.
Data: < _ > 00 00 5F 12 BA 01 00 00
{298} normal block at 0x000001BA12661FC0, 8 bytes long.
Data: < 0f > 20 30 66 12 BA 01 00 00
{289} normal block at 0x000001BA1264A530, 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 0x000001BA12662650, 16 bytes long.
Data: <(/f > 28 2F 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BA12661B10, 16 bytes long.
Data: < /f > 00 2F 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BA1265C6A0, 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 0x000001BA12662600, 16 bytes long.
Data: < .f > D8 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BA12661CF0, 16 bytes long.
Data: < .f > B0 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA12661890, 16 bytes long.
Data: < .f > 88 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA126621A0, 16 bytes long.
Data: <`.f > 60 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BA126604C0, 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 0x000001BA12661A70, 16 bytes long.
Data: < d > E8 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BA1265BCE0, 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 0x000001BA12662510, 16 bytes long.
Data: < d > C0 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BA12661CA0, 16 bytes long.
Data: < d > 98 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BA12662100, 16 bytes long.
Data: <p d > 70 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BA126626A0, 16 bytes long.
Data: <H d > 48 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BA126620B0, 16 bytes long.
Data: < d > 20 B0 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BA126622E0, 16 bytes long.
Data: < d > F8 AF 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BA1265C580, 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 0x000001BA12662470, 16 bytes long.
Data: < d > D0 AF 64 12 BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA1264AFD0, 320 bytes long.
Data: <p$f e > 70 24 66 12 BA 01 00 00 80 C5 65 12 BA 01 00 00
{268} normal block at 0x000001BA126625B0, 16 bytes long.
Data: <@.f > 40 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA12661C00, 16 bytes long.
Data: < .f > 18 2E 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA1265C340, 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 0x000001BA12661B60, 16 bytes long.
Data: < -f > F0 2D 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BA1265C760, 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 0x000001BA12661BB0, 16 bytes long.
Data: <8-f > 38 2D 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BA12661A20, 16 bytes long.
Data: < -f > 10 2D 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BA12662420, 16 bytes long.
Data: < ,f > E8 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BA12661D40, 16 bytes long.
Data: < ,f > C0 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BA126623D0, 16 bytes long.
Data: < ,f > 98 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BA12662330, 16 bytes long.
Data: <p,f > 70 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BA12662740, 16 bytes long.
Data: < f > E0 03 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BA126603E0, 40 bytes long.
Data: <@'f e > 40 27 66 12 BA 01 00 00 10 BB 65 12 BA 01 00 00
{254} normal block at 0x000001BA12661AC0, 16 bytes long.
Data: <P,f > 50 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BA12662560, 16 bytes long.
Data: <(,f > 28 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001BA1265C5E0, 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 0x000001BA12661930, 16 bytes long.
Data: < ,f > 00 2C 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001BA12662C00, 992 bytes long.
Data: <0 f e > 30 19 66 12 BA 01 00 00 E0 C5 65 12 BA 01 00 00
{86} normal block at 0x000001BA1265BC80, 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 0x000001BA12656C20, 16 bytes long.
Data: < f > 90 02 66 12 BA 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001BA12660290, 40 bytes long.
Data: < le e > 20 6C 65 12 BA 01 00 00 80 BC 65 12 BA 01 00 00
{63} normal block at 0x000001BA12656720, 16 bytes long.
Data: < > 80 EA 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BA12656540, 16 bytes long.
Data: <@ > 40 E9 12 C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001BA12656090, 16 bytes long.
Data: < W > F8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001BA12656B80, 16 bytes long.
Data: < W > D8 57 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001BA12656770, 16 bytes long.
Data: <P > 50 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001BA12656CC0, 16 bytes long.
Data: <0 > 30 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001BA12656B30, 16 bytes long.
Data: < > E0 02 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001BA126561D0, 16 bytes long.
Data: < > 10 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001BA12655DC0, 16 bytes long.
Data: <p > 70 04 0F C5 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001BA12656590, 16 bytes long.
Data: < > 18 C0 0D C5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra