Task 38687624

Name test_20-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND3950_0
Workunit 31629008
Created 28 Oct 2026, 8:49:25 UTC
Sent 28 Oct 2026, 8:49:27 UTC
Report deadline 2 Nov 2026, 8:49:27 UTC
Received 28 Oct 2026, 10:13:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641444
Run time 28 min 15 sec
CPU time 24 min 50 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 734.16 MB
Peak swap size 5.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:46:23 (43524): wrapper (7.9.26016): starting
10:46:23 (43524): 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
10:46:26 (43524): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:46:26 (43524): 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
11:13:24 (43524): C:/Windows/system32/cmd.exe exited; CPU time 1490.062500
11:13:24 (43524): 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: 32766201 bytes.
Dumping objects ->
{3835502} normal block at 0x0000021194318B40, 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 0x0000021195FD4ED0, 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 0x0000021195FD5C50, 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 0x0000021195FD55F0, 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 0x0000021195FD5050, 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 0x00000211943187C0, 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 0x00000211942ECE00, 8 bytes long.
 Data: <  '&#148;    > 00 00 27 94 11 02 00 00 
{3833969} normal block at 0x00000211942ED670, 8 bytes long.
 Data: <&#224;&#189;1&#148;    > E0 BD 31 94 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000211942F1E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000211942E5EF0, 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 0x00000211942F5190, 16 bytes long.
 Data: <&#232;b/&#148;            > E8 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000211942F5AF0, 16 bytes long.
 Data: <&#192;b/&#148;            > C0 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000211942EF2E0, 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 0x00000211942F5C80, 16 bytes long.
 Data: < b/&#148;            > 98 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000211942F5320, 16 bytes long.
 Data: <pb/&#148;            > 70 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000211942F5820, 16 bytes long.
 Data: <Hb/&#148;            > 48 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000211942F5000, 16 bytes long.
 Data: < b/&#148;            > 20 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000211942EF530, 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 0x00000211942F52D0, 16 bytes long.
 Data: <(&#246;-&#148;            > 28 F6 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000211942EE980, 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 0x00000211942F50A0, 16 bytes long.
 Data: < &#246;-&#148;            > 00 F6 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000211942F5A00, 16 bytes long.
 Data: <&#216;&#245;-&#148;            > D8 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000211942F54B0, 16 bytes long.
 Data: <&#176;&#245;-&#148;            > B0 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000211942F5F00, 16 bytes long.
 Data: < &#245;-&#148;            > 88 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000211942F5140, 16 bytes long.
 Data: <`&#245;-&#148;            > 60 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000211942F50F0, 16 bytes long.
 Data: <8&#245;-&#148;            > 38 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211942EE920, 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 0x00000211942F5280, 16 bytes long.
 Data: < &#245;-&#148;            > 10 F5 2D 94 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000211942DF510, 320 bytes long.
 Data: < R/&#148;     &#233;.&#148;    > 80 52 2F 94 11 02 00 00 20 E9 2E 94 11 02 00 00 
{280} normal block at 0x00000211942F5460, 16 bytes long.
 Data: < b/&#148;            > 00 62 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000211942F5410, 16 bytes long.
 Data: <&#216;a/&#148;            > D8 61 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000211942EE5C0, 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 0x00000211942F5230, 16 bytes long.
 Data: <&#176;a/&#148;            > B0 61 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211942EE740, 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 0x00000211942F5BE0, 16 bytes long.
 Data: <&#248;`/&#148;            > F8 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211942F53C0, 16 bytes long.
 Data: <&#208;`/&#148;            > D0 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000211942F5A50, 16 bytes long.
 Data: <&#168;`/&#148;            > A8 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000211942F5050, 16 bytes long.
 Data: < `/&#148;            > 80 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000211942F5500, 16 bytes long.
 Data: <X`/&#148;            > 58 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000211942F5EB0, 16 bytes long.
 Data: <0`/&#148;            > 30 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211942F5B90, 16 bytes long.
 Data: <p&#250;.&#148;            > 70 FA 2E 94 11 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000211942EFA70, 40 bytes long.
 Data: < [/&#148;    &#192;&#135;1&#148;    > 90 5B 2F 94 11 02 00 00 C0 87 31 94 11 02 00 00 
{266} normal block at 0x00000211942F57D0, 16 bytes long.
 Data: < `/&#148;            > 10 60 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211942F5DC0, 16 bytes long.
 Data: <&#232;_/&#148;            > E8 5F 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000211942EE680, 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 0x00000211942F5E60, 16 bytes long.
 Data: <&#192;_/&#148;            > C0 5F 2F 94 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211942F5FC0, 992 bytes long.
 Data: <`^/&#148;     &#230;.&#148;    > 60 5E 2F 94 11 02 00 00 80 E6 2E 94 11 02 00 00 
{98} normal block at 0x00000211942EEF20, 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 0x00000211942ED490, 16 bytes long.
 Data: <@&#248;.&#148;            > 40 F8 2E 94 11 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000211942EF840, 40 bytes long.
 Data: < &#212;.&#148;     &#239;.&#148;    > 90 D4 2E 94 11 02 00 00 20 EF 2E 94 11 02 00 00 
{75} normal block at 0x00000211942ED210, 16 bytes long.
 Data: < &#234;&#226;&#149;&#247;           > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000211942ED1C0, 16 bytes long.
 Data: <@&#233;&#226;&#149;&#247;           > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000211942ED300, 16 bytes long.
 Data: <&#248;W&#223;&#149;&#247;           > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000211942ED7B0, 16 bytes long.
 Data: <&#216;W&#223;&#149;&#247;           > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000211942ECB80, 16 bytes long.
 Data: <P &#223;&#149;&#247;           > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000211942ED260, 16 bytes long.
 Data: <0 &#223;&#149;&#247;           > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000211942ECE50, 16 bytes long.
 Data: <&#224; &#223;&#149;&#247;           > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000211942ED170, 16 bytes long.
 Data: <  &#223;&#149;&#247;           > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000211942ED0D0, 16 bytes long.
 Data: <p &#223;&#149;&#247;           > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000211942ECD60, 16 bytes long.
 Data: < &#192;&#221;&#149;&#247;           > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra