Task 38660676
| Name | test_1139-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8115_1 |
| Workunit | 31602538 |
| Created | 24 Oct 2026, 14:33:24 UTC |
| Sent | 24 Oct 2026, 17:24:47 UTC |
| Report deadline | 29 Oct 2026, 17:24:47 UTC |
| Received | 24 Oct 2026, 23:08:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648105 |
| Run time | 40 min 54 sec |
| CPU time | 39 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,806.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 658.28 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:55:48 (37324): wrapper (7.9.26016): starting
13:55:48 (37324): 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
13:55:50 (37324): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:55:50 (37324): 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\1\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\1\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
14:39:03 (37324): C:/Windows/system32/cmd.exe exited; CPU time 2348.640625
14:39:03 (37324): 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: 62140597 bytes.
Dumping objects ->
{3835277} normal block at 0x000002504799E410, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000002504799E020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000002504799DA00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x000002504799E560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000002504799E3A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x00000250495CFA00, 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) : {3835189} normal block at 0x000002504796EBE0, 8 bytes long.
Data: < ìGP > 00 00 EC 47 50 02 00 00
{3833987} normal block at 0x000002504796DD80, 8 bytes long.
Data: < ëHIP > 80 EB 48 49 50 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000025047973F30, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x000002504796AC90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x0000025047979D40, 16 bytes long.
Data: < ©—GP > 18 A9 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x00000250479797F0, 16 bytes long.
Data: <ð¨—GP > F0 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000025047976490, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x00000250479797A0, 16 bytes long.
Data: <Ȩ—GP > C8 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000025047979F20, 16 bytes long.
Data: < ¨—GP > A0 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000025047979750, 16 bytes long.
Data: <x¨—GP > 78 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002504797A3D0, 16 bytes long.
Data: <P¨—GP > 50 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000250479729F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x0000025047979B60, 16 bytes long.
Data: <xÊ–GP > 78 CA 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025047976910, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x0000025047979ED0, 16 bytes long.
Data: <PÊ–GP > 50 CA 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025047979700, 16 bytes long.
Data: <(Ê–GP > 28 CA 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000250479796B0, 16 bytes long.
Data: < Ê–GP > 00 CA 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000250479798E0, 16 bytes long.
Data: <ØÉ–GP > D8 C9 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002504797A010, 16 bytes long.
Data: <°É–GP > B0 C9 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025047979C50, 16 bytes long.
Data: < É–GP > 88 C9 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025047976670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x0000025047979A20, 16 bytes long.
Data: <`É–GP > 60 C9 96 47 50 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002504796C960, 320 bytes long.
Data: < š—GP pf—GP > 20 9A 97 47 50 02 00 00 70 66 97 47 50 02 00 00
{289} normal block at 0x000002504797A380, 16 bytes long.
Data: <0¨—GP > 30 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025047979610, 16 bytes long.
Data: < ¨—GP > 08 A8 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000250479763D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x0000025047979DE0, 16 bytes long.
Data: <ৗGP > E0 A7 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000250479769D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x0000025047979FC0, 16 bytes long.
Data: <(§—GP > 28 A7 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002504797A330, 16 bytes long.
Data: < §—GP > 00 A7 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025047979B10, 16 bytes long.
Data: <ئ—GP > D8 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002504797A240, 16 bytes long.
Data: <°¦—GP > B0 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025047979AC0, 16 bytes long.
Data: < ¦—GP > 88 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002504797A2E0, 16 bytes long.
Data: <`¦—GP > 60 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025047979E30, 16 bytes long.
Data: < )—GP > 80 29 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025047972980, 40 bytes long.
Data: <0ž—GP ú\IP > 30 9E 97 47 50 02 00 00 00 FA 5C 49 50 02 00 00
{275} normal block at 0x00000250479795C0, 16 bytes long.
Data: <@¦—GP > 40 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002504797A060, 16 bytes long.
Data: < ¦—GP > 18 A6 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025047975E30, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x0000025047979F70, 16 bytes long.
Data: <ð¥—GP > F0 A5 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002504797A5F0, 992 bytes long.
Data: <pŸ—GP 0^—GP > 70 9F 97 47 50 02 00 00 30 5E 97 47 50 02 00 00
{107} normal block at 0x0000025047976B50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000002504796E1E0, 16 bytes long.
Data: <`*—GP > 60 2A 97 47 50 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000025047972A60, 40 bytes long.
Data: <àá–GP Pk—GP > E0 E1 96 47 50 02 00 00 50 6B 97 47 50 02 00 00
{84} normal block at 0x000002504796E370, 16 bytes long.
Data: < ê‘k÷ > 80 EA 91 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002504796E8C0, 16 bytes long.
Data: <@é‘k÷ > 40 E9 91 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002504796DF60, 16 bytes long.
Data: <øWŽk÷ > F8 57 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002504796E000, 16 bytes long.
Data: <ØWŽk÷ > D8 57 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002504796E410, 16 bytes long.
Data: <P Žk÷ > 50 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002504796E5F0, 16 bytes long.
Data: <0 Žk÷ > 30 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002504796E780, 16 bytes long.
Data: <à Žk÷ > E0 02 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002504796DD30, 16 bytes long.
Data: < Žk÷ > 10 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002504796E870, 16 bytes long.
Data: <p Žk÷ > 70 04 8E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002504796E6E0, 16 bytes long.
Data: < ÀŒk÷ > 18 C0 8C 6B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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