Task 38684047
| Name | test_842-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3013_0 |
| Workunit | 31625575 |
| Created | 27 Oct 2026, 14:29:51 UTC |
| Sent | 27 Oct 2026, 14:29:57 UTC |
| Report deadline | 1 Nov 2026, 14:29:57 UTC |
| Received | 27 Oct 2026, 15:05:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 11 min 50 sec |
| CPU time | 11 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 756.37 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:53:43 (13152): wrapper (7.9.26016): starting
22:53:43 (13152): 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
22:53:44 (13152): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:53:44 (13152): 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.
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
23:05:01 (13152): C:/Windows/system32/cmd.exe exited; CPU time 664.250000
23:05:01 (13152): 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: 10764407 bytes.
Dumping objects ->
{3835687} normal block at 0x0000023DAF6AA7C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x0000023DAF6AA4B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x0000023DAF6AAA60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x0000023DAF6AA440, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x0000023DAF6AAAD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x0000023DB1847D30, 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) : {3835599} normal block at 0x0000023DAF67E490, 8 bytes long.
Data: < = > 00 00 BB AF 3D 02 00 00
{3834089} normal block at 0x0000023DAF67DC20, 8 bytes long.
Data: < d = > F0 64 8A B1 3D 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000023DAF682190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000023DAF676930, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000023DAF686970, 16 bytes long.
Data: <(zh = > 28 7A 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000023DAF686AB0, 16 bytes long.
Data: < zh = > 00 7A 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000023DAF680320, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000023DAF686830, 16 bytes long.
Data: < yh = > D8 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023DAF687050, 16 bytes long.
Data: < yh = > B0 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000023DAF6867E0, 16 bytes long.
Data: < yh = > 88 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000023DAF686F60, 16 bytes long.
Data: <`yh = > 60 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023DAF684BC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000023DAF687410, 16 bytes long.
Data: <Xah = > 58 61 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023DAF67FB40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000023DAF686FB0, 16 bytes long.
Data: <0ah = > 30 61 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023DAF686920, 16 bytes long.
Data: < ah = > 08 61 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023DAF687230, 16 bytes long.
Data: < `h = > E0 60 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023DAF687690, 16 bytes long.
Data: < `h = > B8 60 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023DAF687640, 16 bytes long.
Data: < `h = > 90 60 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023DAF687370, 16 bytes long.
Data: <h`h = > 68 60 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023DAF67FFC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000023DAF686C40, 16 bytes long.
Data: <@`h = > 40 60 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023DAF686040, 320 bytes long.
Data: <@lh = g = > 40 6C 68 AF 3D 02 00 00 C0 FF 67 AF 3D 02 00 00
{284} normal block at 0x0000023DAF6875A0, 16 bytes long.
Data: <@yh = > 40 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023DAF687550, 16 bytes long.
Data: < yh = > 18 79 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023DAF680020, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000023DAF686DD0, 16 bytes long.
Data: < xh = > F0 78 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023DAF6802C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000023DAF686B00, 16 bytes long.
Data: <8xh = > 38 78 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023DAF686740, 16 bytes long.
Data: < xh = > 10 78 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023DAF686790, 16 bytes long.
Data: < wh = > E8 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023DAF686A10, 16 bytes long.
Data: < wh = > C0 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023DAF6868D0, 16 bytes long.
Data: < wh = > 98 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023DAF687320, 16 bytes long.
Data: <pwh = > 70 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023DAF687460, 16 bytes long.
Data: < Mh = > 10 4D 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023DAF684D10, 40 bytes long.
Data: <`th = 0} = > 60 74 68 AF 3D 02 00 00 30 7D 84 B1 3D 02 00 00
{270} normal block at 0x0000023DAF686880, 16 bytes long.
Data: <Pwh = > 50 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023DAF687500, 16 bytes long.
Data: <(wh = > 28 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023DAF67FF60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000023DAF6875F0, 16 bytes long.
Data: < wh = > 00 77 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023DAF687700, 992 bytes long.
Data: < uh = ` g = > F0 75 68 AF 3D 02 00 00 60 FF 67 AF 3D 02 00 00
{102} normal block at 0x0000023DAF680080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000023DAF67E030, 16 bytes long.
Data: < Lh = > A0 4C 68 AF 3D 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000023DAF684CA0, 40 bytes long.
Data: <0 g = h = > 30 E0 67 AF 3D 02 00 00 80 00 68 AF 3D 02 00 00
{77} normal block at 0x0000023DAF67DE00, 16 bytes long.
Data: < A > 80 EA E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000023DAF67DCC0, 16 bytes long.
Data: <@ A > 40 E9 E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000023DAF67E3F0, 16 bytes long.
Data: < W A > F8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000023DAF67E7B0, 16 bytes long.
Data: < W A > D8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000023DAF67DF40, 16 bytes long.
Data: <P A > 50 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000023DAF67DB30, 16 bytes long.
Data: <0 A > 30 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000023DAF67E990, 16 bytes long.
Data: < A > E0 02 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000023DAF67E6C0, 16 bytes long.
Data: < A > 10 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000023DAF67DEF0, 16 bytes long.
Data: <p A > 70 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023DAF67E4E0, 16 bytes long.
Data: < A > 18 C0 DD 41 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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