Task 38684062
| Name | test_966-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND8701_0 |
| Workunit | 31625588 |
| Created | 27 Oct 2026, 14:33:56 UTC |
| Sent | 27 Oct 2026, 14:34:14 UTC |
| Report deadline | 1 Nov 2026, 14:34:14 UTC |
| Received | 27 Oct 2026, 16:17:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639498 |
| Run time | 1 hours 30 min 46 sec |
| CPU time | 1 hours 17 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,085.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 639.68 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:38:04 (7960): wrapper (7.9.26016): starting
08:38:04 (7960): 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
08:38:07 (7960): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:38:07 (7960): 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\4\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\4\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) : {3835190} normal block at 0x000002CE6BBD6D20, 8 bytes long.
Data: < k > 00 00 B2 6B CE 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002CE6D5F1600, 1080 bytes long.
Data: <T ( > 54 07 00 00 CD CD CD CD 28 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002CE6BBE0160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
10:14:10 (5496): wrapper (7.9.26016): starting
10:14:10 (5496): 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\4\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
10:17:09 (5496): C:/Windows/system32/cmd.exe exited; CPU time 134.890625
10:17:09 (5496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 1788798 bytes.
Dumping objects ->
{1632} normal block at 0x0000027B9E51C7C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1621} normal block at 0x0000027B9E51C6E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1610} normal block at 0x0000027B9E51C670, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1599} normal block at 0x0000027B9E51C440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1588} normal block at 0x0000027B9E51C9F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1557} normal block at 0x0000027B9E509040, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1546} normal block at 0x0000027B9E522CC0, 235 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) : {1543} normal block at 0x0000027B9E521760, 8 bytes long.
Data: < { > 00 00 EC 9F 7B 02 00 00
{926} normal block at 0x0000027B9E522800, 235 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x0000027B9E521EE0, 8 bytes long.
Data: <p6R { > 70 36 52 9E 7B 02 00 00
{289} normal block at 0x0000027B9E51BF30, 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 0x0000027B9E521C60, 16 bytes long.
Data: <x5R { > 78 35 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027B9E521E90, 16 bytes long.
Data: <P5R { > 50 35 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027B9E51D250, 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 0x0000027B9E521260, 16 bytes long.
Data: <(5R { > 28 35 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027B9E521B70, 16 bytes long.
Data: < 5R { > 00 35 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027B9E5210D0, 16 bytes long.
Data: < 4R { > D8 34 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027B9E521B20, 16 bytes long.
Data: < 4R { > B0 34 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027B9E51C600, 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 0x0000027B9E521AD0, 16 bytes long.
Data: < Q { > C8 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027B9E51D130, 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 0x0000027B9E521A80, 16 bytes long.
Data: < Q { > A0 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027B9E521670, 16 bytes long.
Data: <x Q { > 78 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027B9E5219E0, 16 bytes long.
Data: <P Q { > 50 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027B9E521E40, 16 bytes long.
Data: <( Q { > 28 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027B9E521620, 16 bytes long.
Data: < Q { > 00 BE 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027B9E5215D0, 16 bytes long.
Data: < Q { > D8 BD 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027B9E51D3D0, 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 0x0000027B9E521BC0, 16 bytes long.
Data: < Q { > B0 BD 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027B9E51BDB0, 320 bytes long.
Data: < R { Q { > C0 1B 52 9E 7B 02 00 00 D0 D3 51 9E 7B 02 00 00
{268} normal block at 0x0000027B9E521DF0, 16 bytes long.
Data: < 4R { > 90 34 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027B9E521580, 16 bytes long.
Data: <h4R { > 68 34 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027B9E51D0D0, 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 0x0000027B9E521170, 16 bytes long.
Data: <@4R { > 40 34 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027B9E51D430, 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 0x0000027B9E5217B0, 16 bytes long.
Data: < 3R { > 88 33 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027B9E521990, 16 bytes long.
Data: <`3R { > 60 33 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027B9E521CB0, 16 bytes long.
Data: <83R { > 38 33 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027B9E521D50, 16 bytes long.
Data: < 3R { > 10 33 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027B9E521DA0, 16 bytes long.
Data: < 2R { > E8 32 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027B9E521530, 16 bytes long.
Data: < 2R { > C0 32 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027B9E521A30, 16 bytes long.
Data: < Q { > 90 C5 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027B9E51C590, 40 bytes long.
Data: <0 R { @ P { > 30 1A 52 9E 7B 02 00 00 40 90 50 9E 7B 02 00 00
{254} normal block at 0x0000027B9E5214E0, 16 bytes long.
Data: < 2R { > A0 32 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027B9E5218F0, 16 bytes long.
Data: <x2R { > 78 32 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000027B9E51D370, 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 0x0000027B9E521710, 16 bytes long.
Data: <P2R { > 50 32 52 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000027B9E523250, 992 bytes long.
Data: < R { p Q { > 10 17 52 9E 7B 02 00 00 70 D3 51 9E 7B 02 00 00
{86} normal block at 0x0000027B9E51CC50, 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 0x0000027B9E5169C0, 16 bytes long.
Data: <` Q { > 60 CA 51 9E 7B 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000027B9E51CA60, 40 bytes long.
Data: < iQ { P Q { > C0 69 51 9E 7B 02 00 00 50 CC 51 9E 7B 02 00 00
{63} normal block at 0x0000027B9E516600, 16 bytes long.
Data: < f > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027B9E516880, 16 bytes long.
Data: <@ f > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027B9E516830, 16 bytes long.
Data: < W f > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027B9E5166A0, 16 bytes long.
Data: < W f > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027B9E516650, 16 bytes long.
Data: <P f > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027B9E516970, 16 bytes long.
Data: <0 f > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027B9E5161F0, 16 bytes long.
Data: < f > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000027B9E516F60, 16 bytes long.
Data: < f > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000027B9E516A10, 16 bytes long.
Data: <p f > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000027B9E516100, 16 bytes long.
Data: < f > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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