Task 38680817

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8416_0
Workunit 31622517
Created 27 Oct 2026, 1:38:33 UTC
Sent 27 Oct 2026, 1:38:45 UTC
Report deadline 1 Nov 2026, 1:38:45 UTC
Received 27 Oct 2026, 4:11:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 50 min 55 sec
CPU time 43 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 654.85 MB
Peak swap size 9.73 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:07:44 (9376): wrapper (7.9.26016): starting
05:07:44 (9376): 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
05:07:46 (9376): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:07:47 (9376): 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\11\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\11\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
05:56:25 (9376): C:/Windows/system32/cmd.exe exited; CPU time 2587.109375
05:56:26 (9376): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 26531189 bytes.
Dumping objects ->
{3835240} normal block at 0x000002A1ECEEA790, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002A1ECEEA2C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002A1ECEEAAA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002A1ECEEB1A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002A1EB31C1B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002A1ECF342A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002A1ECF91B90, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x000002A1EB317650, 8 bytes long.
 Data: <  -&#235;&#161;   > 00 00 2D EB A1 02 00 00 
{3834544} normal block at 0x000002A1ECF91AA0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000002A1EB317150, 8 bytes long.
 Data: <&#208;%&#249;&#236;&#161;   > D0 25 F9 EC A1 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002A1EB320CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A1EB30D130, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002A1EB3220C0, 16 bytes long.
 Data: <&#200;A2&#235;&#161;           > C8 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A1EB322750, 16 bytes long.
 Data: <&#160;A2&#235;&#161;           > A0 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A1EB31DB30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002A1EB321BC0, 16 bytes long.
 Data: <xA2&#235;&#161;           > 78 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A1EB322700, 16 bytes long.
 Data: <PA2&#235;&#161;           > 50 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A1EB322070, 16 bytes long.
 Data: <(A2&#235;&#161;           > 28 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A1EB321C10, 16 bytes long.
 Data: < A2&#235;&#161;           > 00 41 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A1EB31BDC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002A1EB322110, 16 bytes long.
 Data: <&#200;Z0&#235;&#161;           > C8 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A1EB31D5F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002A1EB322020, 16 bytes long.
 Data: <&#160;Z0&#235;&#161;           > A0 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A1EB321B20, 16 bytes long.
 Data: <xZ0&#235;&#161;           > 78 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A1EB321CB0, 16 bytes long.
 Data: <PZ0&#235;&#161;           > 50 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A1EB3222F0, 16 bytes long.
 Data: <(Z0&#235;&#161;           > 28 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A1EB3225C0, 16 bytes long.
 Data: < Z0&#235;&#161;           > 00 5A 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A1EB3226B0, 16 bytes long.
 Data: <&#216;Y0&#235;&#161;           > D8 59 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A1EB31D110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002A1EB321B70, 16 bytes long.
 Data: <&#176;Y0&#235;&#161;           > B0 59 30 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A1EB3059B0, 320 bytes long.
 Data: <p 2&#235;&#161;    &#209;1&#235;&#161;   > 70 1B 32 EB A1 02 00 00 10 D1 31 EB A1 02 00 00 
{266} normal block at 0x000002A1EB322570, 16 bytes long.
 Data: <&#224;@2&#235;&#161;           > E0 40 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A1EB321AD0, 16 bytes long.
 Data: <&#184;@2&#235;&#161;           > B8 40 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A1EB31D1D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002A1EB321FD0, 16 bytes long.
 Data: <&#144;@2&#235;&#161;           > 90 40 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A1EB31D830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002A1EB3228E0, 16 bytes long.
 Data: <&#216;?2&#235;&#161;           > D8 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A1EB321F80, 16 bytes long.
 Data: <&#176;?2&#235;&#161;           > B0 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A1EB322660, 16 bytes long.
 Data: < ?2&#235;&#161;           > 88 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A1EB322610, 16 bytes long.
 Data: <`?2&#235;&#161;           > 60 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A1EB3222A0, 16 bytes long.
 Data: <8?2&#235;&#161;           > 38 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A1EB322890, 16 bytes long.
 Data: < ?2&#235;&#161;           > 10 3F 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A1EB322160, 16 bytes long.
 Data: <&#240;&#191;1&#235;&#161;           > F0 BF 31 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A1EB31BFF0, 40 bytes long.
 Data: <`!2&#235;&#161;   &#160;B&#243;&#236;&#161;   > 60 21 32 EB A1 02 00 00 A0 42 F3 EC A1 02 00 00 
{252} normal block at 0x000002A1EB3221B0, 16 bytes long.
 Data: <&#240;>2&#235;&#161;           > F0 3E 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A1EB322520, 16 bytes long.
 Data: <&#200;>2&#235;&#161;           > C8 3E 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A1EB31D0B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002A1EB322340, 16 bytes long.
 Data: <&#160;>2&#235;&#161;           > A0 3E 32 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002A1EB323EA0, 992 bytes long.
 Data: <@#2&#235;&#161;   &#176;&#208;1&#235;&#161;   > 40 23 32 EB A1 02 00 00 B0 D0 31 EB A1 02 00 00 
{84} normal block at 0x000002A1EB31D530, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002A1EB3175B0, 16 bytes long.
 Data: < &#194;1&#235;&#161;           > 20 C2 31 EB A1 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002A1EB31C220, 40 bytes long.
 Data: <&#176;u1&#235;&#161;   0&#213;1&#235;&#161;   > B0 75 31 EB A1 02 00 00 30 D5 31 EB A1 02 00 00 
{61} normal block at 0x000002A1EB317290, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A1EB317830, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A1EB317B00, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A1EB317B50, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A1EB317600, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A1EB317AB0, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A1EB3177E0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A1EB317E20, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002A1EB317470, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002A1EB317A10, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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