Task 38699524
| Name | test_302-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8270_0 |
| Workunit | 31639917 |
| Created | 4 Nov 2026, 13:30:26 UTC |
| Sent | 4 Nov 2026, 13:30:31 UTC |
| Report deadline | 9 Nov 2026, 13:30:31 UTC |
| Received | 6 Nov 2026, 9:56:56 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611392 |
| Run time | 1 hours 38 min 32 sec |
| CPU time | 1 hours 26 min 4 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 | 662.82 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>
19:24:53 (2132): wrapper (7.9.26016): starting
19:24:53 (2132): 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
19:24:57 (2132): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:24:57 (2132): 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) : {3835105} normal block at 0x0000024B91D97770, 8 bytes long.
Data: < t K > 00 00 74 93 4B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x0000024B939F4A70, 1080 bytes long.
Data: <$ d > 24 07 00 00 CD CD CD CD 64 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024B91DA1770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:40:48 (7324): wrapper (7.9.26016): starting
09:40:48 (7324): 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
10:55:32 (7324): C:/Windows/system32/cmd.exe exited; CPU time 3988.359375
10:55:32 (7324): 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: 53773200 bytes.
Dumping objects ->
{1537} normal block at 0x000001689D51D430, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1526} normal block at 0x000001689D51D350, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1515} normal block at 0x000001689D51D970, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1504} normal block at 0x000001689D51D7B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1493} normal block at 0x000001689D51D740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1462} normal block at 0x000001689D517E60, 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) : {1449} normal block at 0x000001689D522B60, 8 bytes long.
Data: < O h > 00 00 4F 9D 68 01 00 00
{307} normal block at 0x000001689D5229D0, 8 bytes long.
Data: < OR h > 90 4F 52 9D 68 01 00 00
{298} normal block at 0x000001689D5243C0, 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 0x000001689D522A20, 16 bytes long.
Data: < >R h > 88 3E 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001689D522DE0, 16 bytes long.
Data: <`>R h > 60 3E 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001689D51C490, 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 0x000001689D522980, 16 bytes long.
Data: <8>R h > 38 3E 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001689D5231F0, 16 bytes long.
Data: < >R h > 10 3E 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001689D523510, 16 bytes long.
Data: < =R h > E8 3D 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001689D522F20, 16 bytes long.
Data: < =R h > C0 3D 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001689D51D2E0, 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 0x000001689D522D90, 16 bytes long.
Data: <8&R h > 38 26 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001689D51B950, 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 0x000001689D522930, 16 bytes long.
Data: < &R h > 10 26 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001689D523330, 16 bytes long.
Data: < %R h > E8 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001689D5231A0, 16 bytes long.
Data: < %R h > C0 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001689D5228E0, 16 bytes long.
Data: < %R h > 98 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001689D522890, 16 bytes long.
Data: <p%R h > 70 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001689D5232E0, 16 bytes long.
Data: <H%R h > 48 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001689D51C010, 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 0x000001689D522D40, 16 bytes long.
Data: < %R h > 20 25 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001689D522520, 320 bytes long.
Data: <@-R h Q h > 40 2D 52 9D 68 01 00 00 10 C0 51 9D 68 01 00 00
{277} normal block at 0x000001689D522840, 16 bytes long.
Data: < =R h > A0 3D 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001689D523240, 16 bytes long.
Data: <x=R h > 78 3D 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001689D51BA70, 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 0x000001689D522E80, 16 bytes long.
Data: <P=R h > 50 3D 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001689D51C670, 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 0x000001689D523150, 16 bytes long.
Data: < <R h > 98 3C 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001689D5227A0, 16 bytes long.
Data: <p<R h > 70 3C 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001689D522C00, 16 bytes long.
Data: <H<R h > 48 3C 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001689D523100, 16 bytes long.
Data: < <R h > 20 3C 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001689D5234C0, 16 bytes long.
Data: < ;R h > F8 3B 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001689D522BB0, 16 bytes long.
Data: < ;R h > D0 3B 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001689D5230B0, 16 bytes long.
Data: < Q h > C0 D3 51 9D 68 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001689D51D3C0, 40 bytes long.
Data: < 0R h `~Q h > B0 30 52 9D 68 01 00 00 60 7E 51 9D 68 01 00 00
{263} normal block at 0x000001689D5227F0, 16 bytes long.
Data: < ;R h > B0 3B 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001689D523650, 16 bytes long.
Data: < ;R h > 88 3B 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001689D51BC50, 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 0x000001689D522CA0, 16 bytes long.
Data: <`;R h > 60 3B 52 9D 68 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001689D523B60, 992 bytes long.
Data: < ,R h P Q h > A0 2C 52 9D 68 01 00 00 50 BC 51 9D 68 01 00 00
{95} normal block at 0x000001689D51BFB0, 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 0x000001689D517490, 16 bytes long.
Data: < Q h > F0 D5 51 9D 68 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001689D51D5F0, 40 bytes long.
Data: < tQ h Q h > 90 74 51 9D 68 01 00 00 B0 BF 51 9D 68 01 00 00
{72} normal block at 0x000001689D516EA0, 16 bytes long.
Data: < > 80 EA C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001689D517670, 16 bytes long.
Data: <@ > 40 E9 C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001689D517170, 16 bytes long.
Data: < W > F8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001689D517620, 16 bytes long.
Data: < W > D8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001689D5175D0, 16 bytes long.
Data: <P > 50 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001689D5173F0, 16 bytes long.
Data: <0 > 30 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001689D516B80, 16 bytes long.
Data: < > E0 02 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001689D516A90, 16 bytes long.
Data: < > 10 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001689D516A40, 16 bytes long.
Data: <p > 70 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001689D517300, 16 bytes long.
Data: < > 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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