Task 38658581
| Name | test_991-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND1312_0 |
| Workunit | 31602157 |
| Created | 24 Oct 2026, 12:49:24 UTC |
| Sent | 24 Oct 2026, 13:48:41 UTC |
| Report deadline | 29 Oct 2026, 13:48:41 UTC |
| Received | 24 Oct 2026, 20:26:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 34 min 45 sec |
| CPU time | 33 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 663.50 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:53:08 (2100): wrapper (7.9.26016): starting
11:53:08 (2100): 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
11:53:10 (2100): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:53:10 (2100): 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.
12:30:17 (15732): wrapper (7.9.26016): starting
12:30:17 (15732): 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
13:06:28 (15732): C:/Windows/system32/cmd.exe exited; CPU time 1755.734375
13:06:28 (15732): 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: 33501076 bytes.
Dumping objects ->
{1594} normal block at 0x000001DB3FA35FD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1583} normal block at 0x000001DB3FA35DA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1572} normal block at 0x000001DB3FA35D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1561} normal block at 0x000001DB3FA35F60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1550} normal block at 0x000001DB3FA35EF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1519} normal block at 0x000001DB3FA342F0, 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) : {1505} normal block at 0x000001DB3FA34A60, 8 bytes long.
Data: < ? > 00 00 9F 3F DB 01 00 00
{303} normal block at 0x000001DB3FA348D0, 8 bytes long.
Data: <p> ? > 70 3E A3 3F DB 01 00 00
{294} normal block at 0x000001DB3FA2D450, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001DB3FA34C40, 16 bytes long.
Data: < [ ? > 08 5B A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DB3FA34D30, 16 bytes long.
Data: < Z ? > E0 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DB3FA2F140, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001DB3FA34F10, 16 bytes long.
Data: < Z ? > B8 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DB3FA35280, 16 bytes long.
Data: < Z ? > 90 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DB3FA346F0, 16 bytes long.
Data: <hZ ? > 68 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DB3FA35230, 16 bytes long.
Data: <@Z ? > 40 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DB3FA36120, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001DB3FA34EC0, 16 bytes long.
Data: < ? > 18 B4 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DB3FA2F260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001DB3FA34FB0, 16 bytes long.
Data: < ? > F0 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DB3FA34830, 16 bytes long.
Data: < ? > C8 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DB3FA35190, 16 bytes long.
Data: < ? > A0 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DB3FA34A10, 16 bytes long.
Data: <x ? > 78 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DB3FA34C90, 16 bytes long.
Data: <P ? > 50 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DB3FA34420, 16 bytes long.
Data: <( ? > 28 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DB3FA2F8C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001DB3FA34740, 16 bytes long.
Data: < ? > 00 B3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DB3FA1B300, 320 bytes long.
Data: <@G ? ? > 40 47 A3 3F DB 01 00 00 C0 F8 A2 3F DB 01 00 00
{273} normal block at 0x000001DB3FA352D0, 16 bytes long.
Data: < Z ? > 20 5A A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DB3FA35050, 16 bytes long.
Data: < Y ? > F8 59 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DB3FA2EEA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001DB3FA351E0, 16 bytes long.
Data: < Y ? > D0 59 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DB3FA2EFC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001DB3FA35140, 16 bytes long.
Data: < Y ? > 18 59 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DB3FA34B50, 16 bytes long.
Data: < X ? > F0 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DB3FA345B0, 16 bytes long.
Data: < X ? > C8 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DB3FA34970, 16 bytes long.
Data: < X ? > A0 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DB3FA35000, 16 bytes long.
Data: <xX ? > 78 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DB3FA34880, 16 bytes long.
Data: <PX ? > 50 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DB3FA34920, 16 bytes long.
Data: < ? > 10 CD A2 3F DB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DB3FA2CD10, 40 bytes long.
Data: < I ? B ? > 20 49 A3 3F DB 01 00 00 F0 42 A3 3F DB 01 00 00
{259} normal block at 0x000001DB3FA346A0, 16 bytes long.
Data: <0X ? > 30 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DB3FA34650, 16 bytes long.
Data: < X ? > 08 58 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DB3FA2FC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001DB3FA34BF0, 16 bytes long.
Data: < W ? > E0 57 A3 3F DB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DB3FA357E0, 992 bytes long.
Data: < K ? ? > F0 4B A3 3F DB 01 00 00 20 FC A2 3F DB 01 00 00
{91} normal block at 0x000001DB3FA2F860, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001DB3FA2E330, 16 bytes long.
Data: <@ ? > 40 D3 A1 3F DB 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001DB3FA1D340, 40 bytes long.
Data: <0 ? ` ? > 30 E3 A2 3F DB 01 00 00 60 F8 A2 3F DB 01 00 00
{68} normal block at 0x000001DB3FA2ED80, 16 bytes long.
Data: < r > 80 EA 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DB3FA2E420, 16 bytes long.
Data: <@ r > 40 E9 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DB3FA2E240, 16 bytes long.
Data: < W r > F8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DB3FA2E830, 16 bytes long.
Data: < W r > D8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DB3FA2E100, 16 bytes long.
Data: <P r > 50 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DB3FA2ECE0, 16 bytes long.
Data: <0 r > 30 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DB3FA2E510, 16 bytes long.
Data: < r > E0 02 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DB3FA2DF70, 16 bytes long.
Data: < r > 10 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DB3FA2E790, 16 bytes long.
Data: <p r > 70 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DB3FA2E060, 16 bytes long.
Data: < r > 18 C0 8E 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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