Task 38674345
| Name | test_667-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8660_0 |
| Workunit | 31616388 |
| Created | 26 Oct 2026, 5:02:16 UTC |
| Sent | 26 Oct 2026, 5:02:37 UTC |
| Report deadline | 31 Oct 2026, 5:02:37 UTC |
| Received | 26 Oct 2026, 5:33:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605313 |
| Run time | 24 min 27 sec |
| CPU time | 22 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.85 MB |
| Peak swap size | 9.78 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:14:53 (37776): wrapper (7.9.26016): starting
00:14:53 (37776): 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
00:14:54 (37776): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:14:54 (37776): 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
00:38:27 (37776): C:/Windows/system32/cmd.exe exited; CPU time 1338.890625
00:38:27 (37776): 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: 28480473 bytes.
Dumping objects ->
{3835221} normal block at 0x000001D5A81E9D20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x000001D5A81E9BD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x000001D5A81E9FC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x000001D5A81E9F50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x000001D5A81EA1F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x000001D5A9F67980, 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) : {3835133} normal block at 0x000001D5A81BB7F0, 8 bytes long.
Data: < |¨Õ > 00 00 7C A8 D5 01 00 00
{3833975} normal block at 0x000001D5A81BB7A0, 8 bytes long.
Data: <p¼ ¨Õ > 70 BC 1E A8 D5 01 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001D5A81C2EE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D5A81B6EB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000001D5A81C6DC0, 16 bytes long.
Data: <(y ¨Õ > 28 79 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001D5A81C7040, 16 bytes long.
Data: < y ¨Õ > 00 79 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D5A81BF9B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000001D5A81C6D70, 16 bytes long.
Data: <Øx ¨Õ > D8 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001D5A81C6640, 16 bytes long.
Data: <°x ¨Õ > B0 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D5A81C74F0, 16 bytes long.
Data: < x ¨Õ > 88 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D5A81C72C0, 16 bytes long.
Data: <`x ¨Õ > 60 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D5A81C03D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000001D5A81C7450, 16 bytes long.
Data: <Xý ¨Õ > 58 FD 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D5A81BFB30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000001D5A81C74A0, 16 bytes long.
Data: <0ý ¨Õ > 30 FD 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D5A81C6AA0, 16 bytes long.
Data: < ý ¨Õ > 08 FD 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D5A81C73B0, 16 bytes long.
Data: <àü ¨Õ > E0 FC 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D5A81C6C30, 16 bytes long.
Data: <¸ü ¨Õ > B8 FC 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D5A81C67D0, 16 bytes long.
Data: < ü ¨Õ > 90 FC 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D5A81C6CD0, 16 bytes long.
Data: <hü ¨Õ > 68 FC 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D5A81BF410, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000001D5A81C7180, 16 bytes long.
Data: <@ü ¨Õ > 40 FC 1A A8 D5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D5A81AFC40, 320 bytes long.
Data: < q ¨Õ ô ¨Õ > 80 71 1C A8 D5 01 00 00 10 F4 1B A8 D5 01 00 00
{283} normal block at 0x000001D5A81C6BE0, 16 bytes long.
Data: <@x ¨Õ > 40 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D5A81C6B90, 16 bytes long.
Data: < x ¨Õ > 18 78 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D5A81BF950, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000001D5A81C6960, 16 bytes long.
Data: <ðw ¨Õ > F0 77 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D5A81BF350, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000001D5A81C6C80, 16 bytes long.
Data: <8w ¨Õ > 38 77 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D5A81C68C0, 16 bytes long.
Data: < w ¨Õ > 10 77 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D5A81C6FA0, 16 bytes long.
Data: <èv ¨Õ > E8 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D5A81C7220, 16 bytes long.
Data: <Àv ¨Õ > C0 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D5A81C6F00, 16 bytes long.
Data: < v ¨Õ > 98 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D5A81C6E10, 16 bytes long.
Data: <pv ¨Õ > 70 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D5A81C7270, 16 bytes long.
Data: <àÿ ¨Õ > E0 FF 1B A8 D5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D5A81BFFE0, 40 bytes long.
Data: <pr ¨Õ yö©Õ > 70 72 1C A8 D5 01 00 00 80 79 F6 A9 D5 01 00 00
{269} normal block at 0x000001D5A81C7360, 16 bytes long.
Data: <Pv ¨Õ > 50 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D5A81C6A50, 16 bytes long.
Data: <(v ¨Õ > 28 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D5A81BF2F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000001D5A81C6D20, 16 bytes long.
Data: < v ¨Õ > 00 76 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D5A81C7600, 992 bytes long.
Data: < m ¨Õ ðò ¨Õ > 20 6D 1C A8 D5 01 00 00 F0 F2 1B A8 D5 01 00 00
{101} normal block at 0x000001D5A81BF8F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000001D5A81BB1B0, 16 bytes long.
Data: <P ¨Õ > 50 00 1C A8 D5 01 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000001D5A81C0050, 40 bytes long.
Data: <°± ¨Õ ðø ¨Õ > B0 B1 1B A8 D5 01 00 00 F0 F8 1B A8 D5 01 00 00
{78} normal block at 0x000001D5A81BB980, 16 bytes long.
Data: < ê²ó÷ > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D5A81BBAC0, 16 bytes long.
Data: <@é²ó÷ > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D5A81BB390, 16 bytes long.
Data: <øW¯ó÷ > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001D5A81BB6B0, 16 bytes long.
Data: <ØW¯ó÷ > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001D5A81BB430, 16 bytes long.
Data: <P ¯ó÷ > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001D5A81BB3E0, 16 bytes long.
Data: <0 ¯ó÷ > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001D5A81BB340, 16 bytes long.
Data: <à ¯ó÷ > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001D5A81BAE40, 16 bytes long.
Data: < ¯ó÷ > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001D5A81BB660, 16 bytes long.
Data: <p ¯ó÷ > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001D5A81BB700, 16 bytes long.
Data: < À­ó÷ > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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