Task 38682716
| Name | test_45-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7240_0 |
| Workunit | 31624312 |
| Created | 27 Oct 2026, 8:47:38 UTC |
| Sent | 27 Oct 2026, 8:47:39 UTC |
| Report deadline | 1 Nov 2026, 8:47:39 UTC |
| Received | 27 Oct 2026, 10:07:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628087 |
| Run time | 1 hours 8 min 1 sec |
| CPU time | 1 hours 8 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,809.69 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 769.16 MB |
| Peak swap size | 12.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
16:50:25 (3752): wrapper (7.9.26016): starting
16:50:25 (3752): 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
16:50:27 (3752): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:50:27 (3752): 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 'D:\BOINCPROJECT\slots\13\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 'D:\BOINCPROJECT\slots\13\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
17:59:39 (3752): C:/Windows/system32/cmd.exe exited; CPU time 4081.484375
17:59:39 (3752): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 126463103 bytes.
Dumping objects ->
{3835668} normal block at 0x00000203B0542DC0, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835657} normal block at 0x00000203B25A6FB0, 32 bytes long.
Data: <HOME=D:\BOINCPRO> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835646} normal block at 0x00000203B25A8270, 32 bytes long.
Data: <TMP=D:\BOINCPROJ> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F 4A
{3835635} normal block at 0x00000203B25A8450, 32 bytes long.
Data: <TEMP=D:\BOINCPRO> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
{3835624} normal block at 0x00000203B25A7D30, 32 bytes long.
Data: <TMPDIR=D:\BOINCP> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 50
{3835593} normal block at 0x00000203B0542B20, 48 bytes long.
Data: <PATH=D:\BOINCPRO> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 50 52 4F
..\api\boinc_api.cpp(309) : {3835580} normal block at 0x00000203B04F2440, 8 bytes long.
Data: < > 00 00 8F B0 03 02 00 00
{3834085} normal block at 0x00000203B04F1F90, 8 bytes long.
Data: < M > 00 E6 4D B0 03 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000203B04EF640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000203B04E7F50, 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 0x00000203B04F7C90, 16 bytes long.
Data: <htO > 68 74 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000203B04F7C40, 16 bytes long.
Data: <@tO > 40 74 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000203B04EF050, 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 0x00000203B04F8230, 16 bytes long.
Data: < tO > 18 74 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000203B04F8000, 16 bytes long.
Data: < sO > F0 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000203B04F76F0, 16 bytes long.
Data: < sO > C8 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000203B04F78D0, 16 bytes long.
Data: < sO > A0 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000203B04F5710, 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 0x00000203B04F75B0, 16 bytes long.
Data: < O > 18 12 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000203B04EF3B0, 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 0x00000203B04F8140, 16 bytes long.
Data: < O > F0 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000203B04F7BA0, 16 bytes long.
Data: < O > C8 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000203B04F7740, 16 bytes long.
Data: < O > A0 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000203B04F7E70, 16 bytes long.
Data: <x O > 78 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000203B04F83C0, 16 bytes long.
Data: <P O > 50 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000203B04F7B50, 16 bytes long.
Data: <( O > 28 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000203B04EE6F0, 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 0x00000203B04F8280, 16 bytes long.
Data: < O > 00 11 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000203B04F1100, 320 bytes long.
Data: < O N > 80 82 4F B0 03 02 00 00 F0 E6 4E B0 03 02 00 00
{283} normal block at 0x00000203B04F7EC0, 16 bytes long.
Data: < sO > 80 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000203B04F7A60, 16 bytes long.
Data: <XsO > 58 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000203B04EE810, 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 0x00000203B04F81E0, 16 bytes long.
Data: <0sO > 30 73 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000203B04EE690, 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 0x00000203B04F77E0, 16 bytes long.
Data: <xrO > 78 72 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000203B04F8370, 16 bytes long.
Data: <PrO > 50 72 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000203B04F7A10, 16 bytes long.
Data: <(rO > 28 72 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000203B04F7FB0, 16 bytes long.
Data: < rO > 00 72 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000203B04F7BF0, 16 bytes long.
Data: < qO > D8 71 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000203B04F1CC0, 16 bytes long.
Data: < qO > B0 71 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000203B04F1C70, 16 bytes long.
Data: < UO > C0 55 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000203B04F55C0, 40 bytes long.
Data: <p O +T > 70 1C 4F B0 03 02 00 00 20 2B 54 B0 03 02 00 00
{269} normal block at 0x00000203B04F27B0, 16 bytes long.
Data: < qO > 90 71 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000203B04F1C20, 16 bytes long.
Data: <hqO > 68 71 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000203B04EF530, 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 0x00000203B04F23F0, 16 bytes long.
Data: <@qO > 40 71 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000203B04F7140, 992 bytes long.
Data: < #O 0 N > F0 23 4F B0 03 02 00 00 30 F5 4E B0 03 02 00 00
{101} normal block at 0x00000203B04EF290, 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 0x00000203B04F22B0, 16 bytes long.
Data: <0VO > 30 56 4F B0 03 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000203B04F5630, 40 bytes long.
Data: < "O N > B0 22 4F B0 03 02 00 00 90 F2 4E B0 03 02 00 00
{76} normal block at 0x00000203B04F2300, 16 bytes long.
Data: < : > 80 EA F6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000203B04F1F40, 16 bytes long.
Data: <@ : > 40 E9 F6 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000203B04F2A30, 16 bytes long.
Data: < W : > F8 57 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000203B04F2620, 16 bytes long.
Data: < W : > D8 57 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000203B04F2260, 16 bytes long.
Data: <P : > 50 04 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000203B04F2120, 16 bytes long.
Data: <0 : > 30 04 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000203B04F2210, 16 bytes long.
Data: < : > E0 02 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000203B04F20D0, 16 bytes long.
Data: < : > 10 04 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000203B04F1D60, 16 bytes long.
Data: <p : > 70 04 F3 3A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000203B04F25D0, 16 bytes long.
Data: < : > 18 C0 F1 3A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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