Task 38682686
| Name | test_255-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7006_0 |
| Workunit | 31624283 |
| Created | 27 Oct 2026, 8:39:55 UTC |
| Sent | 27 Oct 2026, 8:39:58 UTC |
| Report deadline | 1 Nov 2026, 8:39:58 UTC |
| Received | 27 Oct 2026, 9:26:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649098 |
| Run time | 23 min 25 sec |
| CPU time | 20 min 33 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 91,065.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.27 MB |
| Peak swap size | 19.20 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:03:54 (15464): wrapper (7.9.26016): starting
10:03:54 (15464): 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
10:03:55 (15464): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:03:55 (15464): 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\9\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\9\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
10:26:34 (15464): C:/Windows/system32/cmd.exe exited; CPU time 1233.125000
10:26:34 (15464): 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: 24331709 bytes.
Dumping objects ->
{3835248} normal block at 0x000002D566D8F900, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000002D564DF78A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000002D564DF7D00, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000002D564DF7F30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000002D564DF7EC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000002D566DDA5F0, 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) : {3835160} normal block at 0x000002D564DF0B70, 8 bytes long.
Data: < :eÕ > 00 00 3A 65 D5 02 00 00
{3833957} normal block at 0x000002D564DF0940, 8 bytes long.
Data: <ðoßdÕ > F0 6F DF 64 D5 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002D564DF1BC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D564DDF040, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002D564DF8700, 16 bytes long.
Data: <È„ßdÕ > C8 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D564DF91F0, 16 bytes long.
Data: < „ßdÕ > A0 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D564DF00E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002D564DF86B0, 16 bytes long.
Data: <x„ßdÕ > 78 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D564DF8BB0, 16 bytes long.
Data: <P„ßdÕ > 50 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D564DF8E80, 16 bytes long.
Data: <(„ßdÕ > 28 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D564DF88E0, 16 bytes long.
Data: < „ßdÕ > 00 84 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D564DF7830, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002D564DF94C0, 16 bytes long.
Data: <ÈvßdÕ > C8 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D564DEFE40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002D564DF8890, 16 bytes long.
Data: < vßdÕ > A0 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D564DF9100, 16 bytes long.
Data: <xvßdÕ > 78 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D564DF8D40, 16 bytes long.
Data: <PvßdÕ > 50 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D564DF87F0, 16 bytes long.
Data: <(vßdÕ > 28 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D564DF8660, 16 bytes long.
Data: < vßdÕ > 00 76 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D564DF90B0, 16 bytes long.
Data: <ØußdÕ > D8 75 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D564DEF8A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002D564DF91A0, 16 bytes long.
Data: <°ußdÕ > B0 75 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D564DF75B0, 320 bytes long.
Data: < ‘ßdÕ  øÞdÕ > A0 91 DF 64 D5 02 00 00 A0 F8 DE 64 D5 02 00 00
{274} normal block at 0x000002D564DF8930, 16 bytes long.
Data: <àƒßdÕ > E0 83 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D564DF8840, 16 bytes long.
Data: <¸ƒßdÕ > B8 83 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D564DEF480, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002D564DF8610, 16 bytes long.
Data: < ƒßdÕ > 90 83 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D564DF0020, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002D564DF9150, 16 bytes long.
Data: <Ø‚ßdÕ > D8 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D564DF8750, 16 bytes long.
Data: <°‚ßdÕ > B0 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D564DF8E30, 16 bytes long.
Data: < ‚ßdÕ > 88 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D564DF9060, 16 bytes long.
Data: <`‚ßdÕ > 60 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D564DF8CA0, 16 bytes long.
Data: <8‚ßdÕ > 38 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D564DF03A0, 16 bytes long.
Data: < ‚ßdÕ > 10 82 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D564DF0300, 16 bytes long.
Data: <p}ßdÕ > 70 7D DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D564DF7D70, 40 bytes long.
Data: < ßdÕ ð¥ÝfÕ > 00 03 DF 64 D5 02 00 00 F0 A5 DD 66 D5 02 00 00
{260} normal block at 0x000002D564DF0D00, 16 bytes long.
Data: <ð ßdÕ > F0 81 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D564DF07B0, 16 bytes long.
Data: <È ßdÕ > C8 81 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002D564DEF3C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002D564DF0CB0, 16 bytes long.
Data: <  ßdÕ > A0 81 DF 64 D5 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D564DF81A0, 992 bytes long.
Data: <° ßdÕ ÀóÞdÕ > B0 0C DF 64 D5 02 00 00 C0 F3 DE 64 D5 02 00 00
{92} normal block at 0x000002D564DEF9C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002D564DF0580, 16 bytes long.
Data: < ñÞdÕ > 80 F1 DE 64 D5 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002D564DEF180, 40 bytes long.
Data: < ßdÕ ÀùÞdÕ > 80 05 DF 64 D5 02 00 00 C0 F9 DE 64 D5 02 00 00
{69} normal block at 0x000002D564DF0B20, 16 bytes long.
Data: < ê ö > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002D564DF0DF0, 16 bytes long.
Data: <@é ö > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002D564DF0490, 16 bytes long.
Data: <øWŠ ö > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D564DF09E0, 16 bytes long.
Data: <ØWŠ ö > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D564DF0A30, 16 bytes long.
Data: <P Š ö > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D564DF0F30, 16 bytes long.
Data: <0 Š ö > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D564DF0990, 16 bytes long.
Data: <à Š ö > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D564DF0530, 16 bytes long.
Data: < Š ö > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D564DF0AD0, 16 bytes long.
Data: <p Š ö > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D564DF0440, 16 bytes long.
Data: < À ö > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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