Task 38688647
| Name | test_675-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6472_0 |
| Workunit | 31629977 |
| Created | 28 Oct 2026, 15:20:32 UTC |
| Sent | 28 Oct 2026, 15:20:42 UTC |
| Report deadline | 2 Nov 2026, 15:20:42 UTC |
| Received | 28 Oct 2026, 15:49:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 28 min 2 sec |
| CPU time | 24 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.67 MB |
| Peak swap size | 5.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:22:03 (10572): wrapper (7.9.26016): starting
16:22:03 (10572): 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
16:22:06 (10572): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:22:06 (10572): 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:\Boinc\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:\Boinc\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
16:48:51 (10572): C:/Windows/system32/cmd.exe exited; CPU time 1486.109375
16:48:51 (10572): 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: 33000747 bytes.
Dumping objects ->
{3835502} normal block at 0x000001EB8A9B91D0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835491} normal block at 0x000001EB8C6814B0, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835480} normal block at 0x000001EB8C6807F0, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835469} normal block at 0x000001EB8C680BB0, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835458} normal block at 0x000001EB8C6808B0, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835427} normal block at 0x000001EB8A9B8FA0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x000001EB8A98D8A0, 8 bytes long.
Data: < ðŠë > 00 00 F0 8A EB 01 00 00
{3833969} normal block at 0x000001EB8A98CAE0, 8 bytes long.
Data: <ཛŠë > E0 BD 9B 8A EB 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001EB8A991820, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001EB8A985830, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001EB8A9955A0, 16 bytes long.
Data: <èb Šë > E8 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001EB8A995A00, 16 bytes long.
Data: <Àb Šë > C0 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EB8A98E440, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001EB8A9959B0, 16 bytes long.
Data: < b Šë > 98 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EB8A995910, 16 bytes long.
Data: <pb Šë > 70 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EB8A995190, 16 bytes long.
Data: <Hb Šë > 48 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EB8A995640, 16 bytes long.
Data: < b Šë > 20 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EB8A98F4C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001EB8A995F50, 16 bytes long.
Data: <(ö—Šë > 28 F6 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EB8A98EB60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001EB8A995460, 16 bytes long.
Data: < ö—Šë > 00 F6 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EB8A995B90, 16 bytes long.
Data: <Øõ—Šë > D8 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EB8A9958C0, 16 bytes long.
Data: <°õ—Šë > B0 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EB8A9955F0, 16 bytes long.
Data: < õ—Šë > 88 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EB8A9953C0, 16 bytes long.
Data: <`õ—Šë > 60 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EB8A995D70, 16 bytes long.
Data: <8õ—Šë > 38 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EB8A98EC80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001EB8A9950F0, 16 bytes long.
Data: < õ—Šë > 10 F5 97 8A EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EB8A97F510, 320 bytes long.
Data: <ðP Šë ì Šë > F0 50 99 8A EB 01 00 00 80 EC 98 8A EB 01 00 00
{280} normal block at 0x000001EB8A995CD0, 16 bytes long.
Data: < b Šë > 00 62 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EB8A995780, 16 bytes long.
Data: <Øa Šë > D8 61 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EB8A98EF20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001EB8A995870, 16 bytes long.
Data: <°a Šë > B0 61 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EB8A98EE00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001EB8A995370, 16 bytes long.
Data: <ø` Šë > F8 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EB8A995410, 16 bytes long.
Data: <Ð` Šë > D0 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EB8A995960, 16 bytes long.
Data: <¨` Šë > A8 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EB8A995140, 16 bytes long.
Data: < ` Šë > 80 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EB8A9957D0, 16 bytes long.
Data: <X` Šë > 58 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EB8A9951E0, 16 bytes long.
Data: <0` Šë > 30 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EB8A995000, 16 bytes long.
Data: <°ø Šë > B0 F8 98 8A EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EB8A98F8B0, 40 bytes long.
Data: < P Šë   ›Šë > 00 50 99 8A EB 01 00 00 A0 8F 9B 8A EB 01 00 00
{266} normal block at 0x000001EB8A995730, 16 bytes long.
Data: < ` Šë > 10 60 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EB8A9954B0, 16 bytes long.
Data: <è_ Šë > E8 5F 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EB8A98EC20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001EB8A995820, 16 bytes long.
Data: <À_ Šë > C0 5F 99 8A EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EB8A995FC0, 992 bytes long.
Data: < X Šë ì Šë > 20 58 99 8A EB 01 00 00 20 EC 98 8A EB 01 00 00
{98} normal block at 0x000001EB8A98F100, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001EB8A98D4E0, 16 bytes long.
Data: < ù Šë > 90 F9 98 8A EB 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001EB8A98F990, 40 bytes long.
Data: <àÔ Šë ñ Šë > E0 D4 98 8A EB 01 00 00 00 F1 98 8A EB 01 00 00
{75} normal block at 0x000001EB8A98D2B0, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001EB8A98CEA0, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EB8A98D260, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EB8A98D080, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EB8A98D300, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EB8A98D760, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EB8A98CBD0, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EB8A98CD10, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EB8A98D800, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EB8A98CB80, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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