Task 38660974
| Name | test_394-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8154_0 |
| Workunit | 31604430 |
| Created | 24 Oct 2026, 15:01:20 UTC |
| Sent | 24 Oct 2026, 15:10:26 UTC |
| Report deadline | 29 Oct 2026, 15:10:26 UTC |
| Received | 24 Oct 2026, 20:38:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654491 |
| Run time | 1 hours 33 min 42 sec |
| CPU time | 1 hours 25 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.21 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 4.05 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:34:47 (26864): wrapper (7.9.26016): starting
00:34:47 (26864): 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
00:34:54 (26864): Library/usr/bin/tar.exe exited; CPU time 0.109375
00:34:54 (26864): 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\2\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\2\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
02:04:34 (26864): C:/Windows/system32/cmd.exe exited; CPU time 5118.390625
02:04:34 (26864): 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: 117739897 bytes.
Dumping objects ->
{3835610} normal block at 0x000001D8AC96D7A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835599} normal block at 0x000001D8AC96D9D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835588} normal block at 0x000001D8AC96E140, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835577} normal block at 0x000001D8AC96D5E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x000001D8AA8E5710, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835535} normal block at 0x000001D8AC9BB100, 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) : {3835522} normal block at 0x000001D8AA8DE620, 8 bytes long.
Data: < > 00 00 E0 AA D8 01 00 00
{3834083} normal block at 0x000001D8AA8DDC20, 8 bytes long.
Data: <@ > 40 DF 8C AA D8 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x000001D8AA8E16A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D8AA8CF7C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x000001D8AA8E6260, 16 bytes long.
Data: < t > A8 74 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D8AA8E6BC0, 16 bytes long.
Data: < t > 80 74 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D8AA8E0830, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x000001D8AA8E7020, 16 bytes long.
Data: <Xt > 58 74 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D8AA8E6940, 16 bytes long.
Data: <0t > 30 74 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D8AA8E6C60, 16 bytes long.
Data: < t > 08 74 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D8AA8E68F0, 16 bytes long.
Data: < s > E0 73 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D8AA8E5470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x000001D8AA8E6210, 16 bytes long.
Data: < > C8 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D8AA8E0950, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x000001D8AA8E6350, 16 bytes long.
Data: < > A0 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D8AA8E6B70, 16 bytes long.
Data: <x > 78 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D8AA8E6FD0, 16 bytes long.
Data: <P > 50 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D8AA8E6B20, 16 bytes long.
Data: <( > 28 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D8AA8E68A0, 16 bytes long.
Data: < > 00 F9 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D8AA8E6C10, 16 bytes long.
Data: < > D8 F8 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D8AA8E06B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x000001D8AA8E62B0, 16 bytes long.
Data: < > B0 F8 8D AA D8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D8AA8DF8B0, 320 bytes long.
Data: < b > B0 62 8E AA D8 01 00 00 B0 06 8E AA D8 01 00 00
{282} normal block at 0x000001D8AA8E6F80, 16 bytes long.
Data: < s > C0 73 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D8AA8E65D0, 16 bytes long.
Data: < s > 98 73 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D8AA8E0410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x000001D8AA8E6D00, 16 bytes long.
Data: <ps > 70 73 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D8AA8E0350, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x000001D8AA8E6AD0, 16 bytes long.
Data: < r > B8 72 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D8AA8E61C0, 16 bytes long.
Data: < r > 90 72 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D8AA8E6CB0, 16 bytes long.
Data: <hr > 68 72 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D8AA8E6850, 16 bytes long.
Data: <@r > 40 72 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D8AA8E66C0, 16 bytes long.
Data: < r > 18 72 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D8AA8E63F0, 16 bytes long.
Data: < q > F0 71 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D8AA8E6E40, 16 bytes long.
Data: < Z > 20 5A 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D8AA8E5A20, 40 bytes long.
Data: <@n > 40 6E 8E AA D8 01 00 00 00 B1 9B AC D8 01 00 00
{268} normal block at 0x000001D8AA8E6A30, 16 bytes long.
Data: < q > D0 71 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D8AA8E6F30, 16 bytes long.
Data: < q > A8 71 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D8AA8E05F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x000001D8AA8E7110, 16 bytes long.
Data: < q > 80 71 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D8AA8E7180, 992 bytes long.
Data: < q > 10 71 8E AA D8 01 00 00 F0 05 8E AA D8 01 00 00
{100} normal block at 0x000001D8AA8E0B30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x000001D8AA8DE3F0, 16 bytes long.
Data: < Z > 90 5A 8E AA D8 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x000001D8AA8E5A90, 40 bytes long.
Data: < 0 > F0 E3 8D AA D8 01 00 00 30 0B 8E AA D8 01 00 00
{75} normal block at 0x000001D8AA8DDEA0, 16 bytes long.
Data: < p > 80 EA DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D8AA8DD9F0, 16 bytes long.
Data: <@ p > 40 E9 DF 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D8AA8DDA40, 16 bytes long.
Data: < W p > F8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D8AA8DE2B0, 16 bytes long.
Data: < W p > D8 57 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D8AA8DDB30, 16 bytes long.
Data: <P p > 50 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D8AA8DE7B0, 16 bytes long.
Data: <0 p > 30 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D8AA8DE170, 16 bytes long.
Data: < p > E0 02 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D8AA8DE710, 16 bytes long.
Data: < p > 10 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D8AA8DDCC0, 16 bytes long.
Data: <p p > 70 04 DC 70 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D8AA8DDD10, 16 bytes long.
Data: < p > 18 C0 DA 70 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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